2-[3-(4-methylphenyl)carbothioylphenyl]-1-(1H-pyrrol-2-yl)propane-2-sulfonamide

Systemtic Name: 2-[3-(4-methylphenyl)carbothioylphenyl]-1-(1H-pyrrol-2-yl)propane-2-sulfonamide Openeye Name: 2-[3-(4-methylbenzenecarbothioyl)phenyl]-1-(1H-pyrrol-2-yl)propane-2-sulfonamide CAS Name: 2-[3-[(4-methylphenyl)-sulfanylidenemethyl]phenyl]-1-(1H-pyrrol-2-yl)-2-propanesulfonamide IUPAC Name: 2-[3-(4-methylbenzenecarbothioyl)phenyl]-1-(1H-pyrrol-2-yl)propane-2-sulfonamide Traditional Name: 2-[3-(4-methylthiobenzoyl)phenyl]-1-(1H-pyrrol-2-yl)propane-2-sulfonamide Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=S)C2=CC(=CC=C2)C(C)(CC3=CC=CN3)S(=O)(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=S)C2=CC(=CC=C2)C(C)(CC3=CC=CN3)S(=O)(=O)N

InChI

InChI=1S/C21H22N2O2S2/c1-15-8-10-16(11-9-15)20(26)17-5-3-6-18(13-17)21(2,27(22,24)25)14-19-7-4-12-23-19/h3-13,23H,14H2,1-2H3,(H2,22,24,25)