870650-61-6
1-PIPERAZINECARBOTHIOAMIDE, N-(4-CHLOROPHENYL)-4-(1H-INDOL-6-YLCARBONYL)-
Name1-PIPERAZINECARBOTHIOAMIDE, N-(4-CHLOROPHENYL)-4-(1H-INDOL-6-YLCARBONYL)-
1Identification
【Name】
1-PIPERAZINECARBOTHIOAMIDE, N-(4-CHLOROPHENYL)-4-(1H-INDOL-6-YLCARBONYL)-
【CAS】
【MDL】
MFCD13183454
【English Synonyms】
【Formula】
C20 H19 Cl N4 O S
【MolWeight】
398.916
【Inchi】
InChI=1S/C20H19ClN4OS/c21-16-3-5-17(6-4-16)23-20(27)25-11-9-24(10-12-25)19(26)15-2-1-14-7-8-22-18(14)13-15/h1-8,13,22H,9-12H2,(H,23,27)
【InChIKey】
InChIKey=KOUZGBOTDAQJFF-UHFFFAOYSA-N
【SMILES】
c1cc(cc2c1cc[nH]2)C(=O)N3CCN(CC3)C(=S)Nc4ccc(cc4)Cl
【MOL File】
1-PIPERAZINECARBOTHI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-PIPERAZINECARBOTHIOAMIDE, N-(4-CHLOROPHENYL)-4-(1H-INDOL-6-YLCARBONYL)-.cml