ethyl 4-[4-azanyl-5-[(phenylmethyl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzoate

Systemtic Name: ethyl 4-[4-azanyl-5-[(phenylmethyl)carbamoyl]-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Openeye Name: ethyl 4-[4-amino-5-(benzylcarbamoyl)-2-thioxo-thiazol-3-yl]benzoate CAS Name: 4-[4-amino-5-[oxo-[(phenylmethyl)amino]methyl]-2-sulfanylidene-3-thiazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-amino-5-(benzylcarbamoyl)-2-sulfanylidene-1,3-thiazol-3-yl]benzoate Traditional Name: 4-[4-amino-5-(benzylcarbamoyl)-2-thioxo-4-thiazolin-3-yl]benzoic acid ethyl ester Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC3=CC=CC=C3)N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=C(SC2=S)C(=O)NCC3=CC=CC=C3)N

InChI

InChI=1S/C20H19N3O3S2/c1-2-26-19(25)14-8-10-15(11-9-14)23-17(21)16(28-20(23)27)18(24)22-12-13-6-4-3-5-7-13/h3-11H,2,12,21H2,1H3,(H,22,24)