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

Systemtic Name: methyl 2-(2-methylpropylcarbamothioylamino)-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-(isobutylcarbamothioylamino)thiophene-3-carboxylate CAS Name: 2-[[(2-methylpropylamino)-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-(2-methylpropylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 5-benzyl-2-(isobutylthiocarbamoylamino)thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22N2O2S2/c1-12(2)11-19-18(23)20-16-15(17(21)22-3)10-14(24-16)9-13-7-5-4-6-8-13/h4-8,10,12H,9,11H2,1-3H3,(H2,19,20,23)