methyl 2-(cyclohexylcarbamothioylamino)-4-thiophen-2-yl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(cyclohexylcarbamothioylamino)-4-thiophen-2-yl-thiophene-3-carboxylate Openeye Name: methyl 2-(cyclohexylcarbamothioylamino)-4-(2-thienyl)thiophene-3-carboxylate CAS Name: 2-[[(cyclohexylamino)-sulfanylidenemethyl]amino]-4-thiophen-2-yl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyclohexylcarbamothioylamino)-4-thiophen-2-ylthiophene-3-carboxylate Traditional Name: 2-(cyclohexylthiocarbamoylamino)-4-(2-thienyl)thiophene-3-carboxylic acid methyl ester Formula: C17H20N2O2S3 MolecularWeight: 380.5479

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CS2)NC(=S)NC3CCCCC3

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CS2)NC(=S)NC3CCCCC3

InChI

InChI=1S/C17H20N2O2S3/c1-21-16(20)14-12(13-8-5-9-23-13)10-24-15(14)19-17(22)18-11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3,(H2,18,19,22)