2-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide

Systemtic Name: 2-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide Openeye Name: 2-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-4,5-dimethyl-thiophene-3-carboxamide CAS Name: 2-[[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxamide IUPAC Name: 2-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-4,5-dimethylthiophene-3-carboxamide Traditional Name: 2-[3-(2-chlorophenyl)propanoylthiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxamide Formula: C17H18ClN3O2S2 MolecularWeight: 395.92672

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCC2=CC=CC=C2Cl)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCC2=CC=CC=C2Cl)C

InChI

InChI=1S/C17H18ClN3O2S2/c1-9-10(2)25-16(14(9)15(19)23)21-17(24)20-13(22)8-7-11-5-3-4-6-12(11)18/h3-6H,7-8H2,1-2H3,(H2,19,23)(H2,20,21,22,24)