N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-methyl-3-pyrrol-1-yl-benzamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-methyl-3-pyrrol-1-yl-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-methyl-3-pyrrol-1-yl-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-methyl-3-(1-pyrrolyl)benzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-methyl-3-pyrrol-1-ylbenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-methyl-3-pyrrol-1-yl-benzamide Formula: C23H24N4OS MolecularWeight: 404.52786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)N4C=CC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)N[C@@H](CCSC)C2=NC3=CC=CC=C3N2)N4C=CC=C4

InChI

InChI=1S/C23H24N4OS/c1-16-9-10-17(15-21(16)27-12-5-6-13-27)23(28)26-20(11-14-29-2)22-24-18-7-3-4-8-19(18)25-22/h3-10,12-13,15,20H,11,14H2,1-2H3,(H,24,25)(H,26,28)/t20-/m0/s1