(2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-nitrophenyl)sulfanyl-propanamide

Systemtic Name: (2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-nitrophenyl)sulfanyl-propanamide Openeye Name: (2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-nitrophenyl)sulfanyl-propanamide CAS Name: (2R)-N-[3-(1-benzimidazolyl)propyl]-2-[(4-nitrophenyl)thio]propanamide IUPAC Name: (2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-nitrophenyl)sulfanylpropanamide Traditional Name: (2R)-N-[3-(benzimidazol-1-yl)propyl]-2-[(4-nitrophenyl)thio]propionamide Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCN1C=NC2=CC=CC=C21)SC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NCCCN1C=NC2=CC=CC=C21)SC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O3S/c1-14(27-16-9-7-15(8-10-16)23(25)26)19(24)20-11-4-12-22-13-21-17-5-2-3-6-18(17)22/h2-3,5-10,13-14H,4,11-12H2,1H3,(H,20,24)/t14-/m1/s1