N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4,6-dimethyl-1H-indole-2-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4,6-dimethyl-1H-indole-2-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4,6-dimethyl-1H-indole-2-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4,6-dimethyl-1H-indole-2-carboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4,6-dimethyl-1H-indole-2-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4,6-dimethyl-1H-indole-2-carboxamide Formula: C22H24N4OS MolecularWeight: 392.51716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(NC2=C1)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3)C

Isomeric SMILES

CC1=CC(=C2C=C(NC2=C1)C(=O)N[C@@H](CCSC)C3=NC4=CC=CC=C4N3)C

InChI

InChI=1S/C22H24N4OS/c1-13-10-14(2)15-12-20(23-19(15)11-13)22(27)26-18(8-9-28-3)21-24-16-6-4-5-7-17(16)25-21/h4-7,10-12,18,23H,8-9H2,1-3H3,(H,24,25)(H,26,27)/t18-/m0/s1