methyl 2-[(3-acetamidophenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(3-acetamidophenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-acetamidophenyl)carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3-acetamidoanilino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-acetamidophenyl)carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(3-acetamidophenyl)thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C21H19N3O3S2 MolecularWeight: 425.52386

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=S)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H19N3O3S2/c1-13(25)22-15-9-6-10-16(11-15)23-21(28)24-19-17(20(26)27-2)12-18(29-19)14-7-4-3-5-8-14/h3-12H,1-2H3,(H,22,25)(H2,23,24,28)