697800-24-1
N-[4-(5-METHOXY-1H-BENZIMIDAZOL-2-YLTHIO)PHENYL]-N'-PHENYLTHIOUREA
NameN-[4-(5-METHOXY-1H-BENZIMIDAZOL-2-YLTHIO)PHENYL]-N'-PHENYLTHIOUREA
1Identification
【Name】
N-[4-(5-METHOXY-1H-BENZIMIDAZOL-2-YLTHIO)PHENYL]-N'-PHENYLTHIOUREA
【CAS】
【MDL】
MFCD17188694
【English Synonyms】
【Formula】
C21 H18 N4 O S2
【MolWeight】
406.532
【Inchi】
InChI=1S/C21H18N4OS2/c1-26-16-9-12-18-19(13-16)25-21(24-18)28-17-10-7-15(8-11-17)23-20(27)22-14-5-3-2-4-6-14/h2-13H,1H3,(H,24,25)(H2,22,23,27)
【InChIKey】
InChIKey=MQIKYTXSRCNHMF-UHFFFAOYSA-N
【SMILES】
COc1ccc2c(c1)nc([nH]2)Sc3ccc(cc3)NC(=S)Nc4ccccc4
【MOL File】
N-[4-(5-METHOXY-1H-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N-[4-(5-METHOXY-1H-BENZIMIDAZOL-2-YLTHIO)PHENYL]-N'-PHENYLTHIOUREA.cml