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

Systemtic Name: methyl 2-(3-methylbutylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-(isopentylcarbamothioylamino)-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3-methylbutylamino)-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-methylbutylcarbamothioylamino)-5-phenylthiophene-3-carboxylate Traditional Name: 2-(isoamylthiocarbamoylamino)-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C18H22N2O2S2 MolecularWeight: 362.50948

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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