methyl 2-[(4-ethanoylphenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-ethanoylphenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-acetylphenyl)carbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(4-acetylanilino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-acetylphenyl)carbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[(4-acetylphenyl)thiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H16N2O3S2 MolecularWeight: 348.43984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S2/c1-9-8-13(15(20)21-3)14(23-9)18-16(22)17-12-6-4-11(5-7-12)10(2)19/h4-8H,1-3H3,(H2,17,18,22)