(2S)-N-(3-nitrophenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-(3-nitrophenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-(3-nitrophenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanyl-propanamide CAS Name: (2S)-N-(3-nitrophenyl)-2-[(1-phenethyl-2-benzimidazolyl)thio]propanamide IUPAC Name: (2S)-N-(3-nitrophenyl)-2-(1-phenethylbenzimidazol-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-(3-nitrophenyl)-2-[(1-phenethylbenzimidazol-2-yl)thio]propionamide Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

Isomeric SMILES

C[C@@H](C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3N2CCC4=CC=CC=C4

InChI

InChI=1S/C24H22N4O3S/c1-17(23(29)25-19-10-7-11-20(16-19)28(30)31)32-24-26-21-12-5-6-13-22(21)27(24)15-14-18-8-3-2-4-9-18/h2-13,16-17H,14-15H2,1H3,(H,25,29)/t17-/m0/s1