4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-pyrrol-1-yl-benzamide

Systemtic Name: 4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-pyrrol-1-yl-benzamide Openeye Name: 4-methyl-N-[2-(p-tolylsulfanyl)ethyl]-3-pyrrol-1-yl-benzamide CAS Name: 4-methyl-N-[2-[(4-methylphenyl)thio]ethyl]-3-(1-pyrrolyl)benzamide IUPAC Name: 4-methyl-N-[2-(4-methylphenyl)sulfanylethyl]-3-pyrrol-1-ylbenzamide Traditional Name: 4-methyl-N-[2-(p-tolylthio)ethyl]-3-pyrrol-1-yl-benzamide Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)C2=CC(=C(C=C2)C)N3C=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)C2=CC(=C(C=C2)C)N3C=CC=C3

InChI

InChI=1S/C21H22N2OS/c1-16-5-9-19(10-6-16)25-14-11-22-21(24)18-8-7-17(2)20(15-18)23-12-3-4-13-23/h3-10,12-13,15H,11,14H2,1-2H3,(H,22,24)