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

Systemtic Name: methyl 2-(3-methylbutylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(isopentylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(3-methylbutylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(3-methylbutylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(isoamylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C19H24N2O2S2 MolecularWeight: 376.53606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)CCNC(=S)NC1=C(C=C(S1)CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C19H24N2O2S2/c1-13(2)9-10-20-19(24)21-17-16(18(22)23-3)12-15(25-17)11-14-7-5-4-6-8-14/h4-8,12-13H,9-11H2,1-3H3,(H2,20,21,24)