769153-26-6
1-(2-(AMINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE
Name1-(2-(AMINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE
1Identification
【Name】
1-(2-(AMINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE
【CAS】
【MDL】
MFCD05153447
【English Synonyms】
【Formula】
C20 H17 N3 O3 S
【MolWeight】
379.438
【Inchi】
InChI=1S/C20H17N3O3S/c1-25-15-9-6-14(7-10-15)19(24)26-18-11-8-13-4-2-3-5-16(13)17(18)12-22-23-20(21)27/h2-12H,1H3,(H3,21,23,27)/b22-12+
【InChIKey】
InChIKey=VARAIMDQPBKJPR-WSDLNYQXSA-N
【SMILES】
COc1ccc(cc1)C(=O)Oc2ccc3ccccc3c2/C=N/NC(=S)N
【MOL File】
1-(2-(AMINOCARBOTHIO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(2-(AMINOCARBOTHIOYL)CARBOHYDRAZONOYL)-2-NAPHTHYL 4-METHOXYBENZOATE.cml