N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-4-(3-methylbutylsulfanyl)-3-nitro-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-4-isopentylsulfanyl-3-nitro-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-4-(3-methylbutylthio)-3-nitrobenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]-4-(3-methylbutylsulfanyl)-3-nitrobenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]-4-(isoamylthio)-3-nitro-benzamide Formula: C27H28N4O3S MolecularWeight: 488.60122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)NC(CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C27H28N4O3S/c1-18(2)14-15-35-25-13-12-20(17-24(25)31(33)34)27(32)30-23(16-19-8-4-3-5-9-19)26-28-21-10-6-7-11-22(21)29-26/h3-13,17-18,23H,14-16H2,1-2H3,(H,28,29)(H,30,32)/t23-/m0/s1