(2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: (2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: (2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: (2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: (2S)-N-[(1S)-1-(1H-benzimidazol-2-yl)ethyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2N1)NC(=O)C(C)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)[C@H](C)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S/c1-11(17-20-15-5-3-4-6-16(15)21-17)19-18(23)12(2)26-14-9-7-13(8-10-14)22(24)25/h3-12H,1-2H3,(H,19,23)(H,20,21)/t11-,12-/m0/s1