ethyl 4-(4-methylphenyl)-2-(pentanoylcarbamothioylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)-2-(pentanoylcarbamothioylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-(pentanoylcarbamothioylamino)-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[(1-oxopentylamino)-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-2-(pentanoylcarbamothioylamino)thiophene-3-carboxylate Traditional Name: 4-(p-tolyl)-2-(valerylthiocarbamoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=S)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)OCC

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=C(C(=CS1)C2=CC=C(C=C2)C)C(=O)OCC

InChI

InChI=1S/C20H24N2O3S2/c1-4-6-7-16(23)21-20(26)22-18-17(19(24)25-5-2)15(12-27-18)14-10-8-13(3)9-11-14/h8-12H,4-7H2,1-3H3,(H2,21,22,23,26)