methyl 2-(cyclopentylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate

Systemtic Name: methyl 2-(cyclopentylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(cyclopentylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(cyclopentylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(cyclopentylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(cyclopentylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C19H22N2O2S2 MolecularWeight: 374.52018

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CCCC3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CCCC3

InChI

InChI=1S/C19H22N2O2S2/c1-23-18(22)16-12-15(11-13-7-3-2-4-8-13)25-17(16)21-19(24)20-14-9-5-6-10-14/h2-4,7-8,12,14H,5-6,9-11H2,1H3,(H2,20,21,24)