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

Systemtic Name: methyl 2-[(3-acetamidophenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-acetamidophenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(3-acetamidoanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-acetamidophenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(3-acetamidophenyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H17N3O3S2 MolecularWeight: 363.45448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2=CC=CC(=C2)NC(=O)C)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2=CC=CC(=C2)NC(=O)C)C(=O)OC

InChI

InChI=1S/C16H17N3O3S2/c1-9-7-13(15(21)22-3)14(24-9)19-16(23)18-12-6-4-5-11(8-12)17-10(2)20/h4-8H,1-3H3,(H,17,20)(H2,18,19,23)