methyl 2-(cyclopropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(cyclopropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(cyclopropylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(cyclopropylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyclopropylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(cyclopropylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C16H16N2O2S2 MolecularWeight: 332.44044

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3CC3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3CC3

InChI

InChI=1S/C16H16N2O2S2/c1-20-15(19)12-9-13(10-5-3-2-4-6-10)22-14(12)18-16(21)17-11-7-8-11/h2-6,9,11H,7-8H2,1H3,(H2,17,18,21)