N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-6-methoxy-2-methyl-quinoline-3-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-6-methoxy-2-methyl-quinoline-3-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-6-methoxy-2-methyl-quinoline-3-carboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-6-methoxy-2-methyl-3-quinolinecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-6-methoxy-2-methylquinoline-3-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-6-methoxy-2-methyl-quinoline-3-carboxamide Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)NC(CCSC)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=N1)OC)C(=O)N[C@@H](CCSC)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C23H24N4O2S/c1-14-17(13-15-12-16(29-2)8-9-18(15)24-14)23(28)27-21(10-11-30-3)22-25-19-6-4-5-7-20(19)26-22/h4-9,12-13,21H,10-11H2,1-3H3,(H,25,26)(H,27,28)/t21-/m0/s1