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

Systemtic Name: methyl 2-(cyclopropylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(cyclopropylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(cyclopropylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(cyclopropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(cyclopropylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C17H18N2O2S2 MolecularWeight: 346.46702

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CC3

Isomeric SMILES

COC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3CC3

InChI

InChI=1S/C17H18N2O2S2/c1-21-16(20)14-10-13(9-11-5-3-2-4-6-11)23-15(14)19-17(22)18-12-7-8-12/h2-6,10,12H,7-9H2,1H3,(H2,18,19,22)