N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[(2-nitrophenyl)amino]propanamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-[(2-nitrophenyl)amino]propanamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-(2-nitroanilino)propanamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(2-nitroanilino)propanamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-(2-nitroanilino)propanamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-(2-nitroanilino)propionamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)CCNC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H23N5O3S/c1-29-13-11-17(20-23-14-6-2-3-7-15(14)24-20)22-19(26)10-12-21-16-8-4-5-9-18(16)25(27)28/h2-9,17,21H,10-13H2,1H3,(H,22,26)(H,23,24)