(2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]propanamide

Systemtic Name: (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]propanamide Openeye Name: (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(4-nitrophenyl)methyleneamino]propanamide CAS Name: (2R)-2-(1H-benzimidazol-2-ylthio)-N-[(Z)-(4-nitrophenyl)methylideneamino]propanamide IUPAC Name: (2R)-2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]propanamide Traditional Name: (2R)-2-(1H-benzimidazol-2-ylthio)-N-[(Z)-(4-nitrobenzylidene)amino]propionamide Formula: C17H15N5O3S MolecularWeight: 369.3977

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NN=CC1=CC=C(C=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3N2

Isomeric SMILES

C[C@H](C(=O)N/N=C\C1=CC=C(C=C1)[N+](=O)[O-])SC2=NC3=CC=CC=C3N2

InChI

InChI=1S/C17H15N5O3S/c1-11(26-17-19-14-4-2-3-5-15(14)20-17)16(23)21-18-10-12-6-8-13(9-7-12)22(24)25/h2-11H,1H3,(H,19,20)(H,21,23)/b18-10-/t11-/m1/s1