N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-pyrrol-1-yl-benzamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-pyrrol-1-yl-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-pyrrol-1-yl-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(1-pyrrolyl)benzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-pyrrol-1-ylbenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-pyrrol-1-yl-benzamide Formula: C22H22N4OS MolecularWeight: 390.50128

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC=C3)N4C=CC=C4

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=CC=C3)N4C=CC=C4

InChI

InChI=1S/C22H22N4OS/c1-28-14-11-20(21-23-18-9-2-3-10-19(18)24-21)25-22(27)16-7-6-8-17(15-16)26-12-4-5-13-26/h2-10,12-13,15,20H,11,14H2,1H3,(H,23,24)(H,25,27)/t20-/m0/s1