methyl 4-[2-[(4-methoxyphenyl)-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[(4-methoxyphenyl)-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-methoxy-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)anilino)acetyl]amino]benzoate CAS Name: 4-[[2-(4-methoxy-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino)-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-methoxy-N-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)anilino)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-methoxy-N-(2-thioxo-3H-1,3,4-thiadiazol-5-yl)anilino)acetyl]amino]benzoic acid methyl ester Formula: C19H18N4O4S2 MolecularWeight: 430.50062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=NNC(=S)S3

Isomeric SMILES

COC1=CC=C(C=C1)N(CC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=NNC(=S)S3

InChI

InChI=1S/C19H18N4O4S2/c1-26-15-9-7-14(8-10-15)23(18-21-22-19(28)29-18)11-16(24)20-13-5-3-12(4-6-13)17(25)27-2/h3-10H,11H2,1-2H3,(H,20,24)(H,22,28)