2-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 2-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-4-methyl-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-4-methyl-thiophene-3-carboxamide CAS Name: 2-[[[[3-(2-chlorophenyl)-1-oxopropyl]amino]-sulfanylidenemethyl]amino]-4-methyl-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[3-(2-chlorophenyl)propanoylcarbamothioylamino]-4-methylthiophene-3-carboxamide Traditional Name: 5-benzyl-2-[3-(2-chlorophenyl)propanoylthiocarbamoylamino]-4-methyl-thiophene-3-carboxamide Formula: C23H22ClN3O2S2 MolecularWeight: 472.02268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCC2=CC=CC=C2Cl)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC(=C1C(=O)N)NC(=S)NC(=O)CCC2=CC=CC=C2Cl)CC3=CC=CC=C3

InChI

InChI=1S/C23H22ClN3O2S2/c1-14-18(13-15-7-3-2-4-8-15)31-22(20(14)21(25)29)27-23(30)26-19(28)12-11-16-9-5-6-10-17(16)24/h2-10H,11-13H2,1H3,(H2,25,29)(H2,26,27,28,30)