(2R)-N-cyclopropyl-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-cyclopropyl-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-cyclopropyl-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-propanamide CAS Name: (2R)-N-cyclopropyl-2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]propanamide IUPAC Name: (2R)-N-cyclopropyl-2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-cyclopropyl-2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]propionamide Formula: C20H20N4O4S MolecularWeight: 412.4622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)SC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1CC1)SC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O4S/c1-12(19(25)21-13-7-8-13)29-20-22-15-11-14(24(26)27)9-10-16(15)23(20)17-5-3-4-6-18(17)28-2/h3-6,9-13H,7-8H2,1-2H3,(H,21,25)/t12-/m1/s1