4-azanyl-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-nitro-benzamide

Systemtic Name: 4-azanyl-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-nitro-benzamide Openeye Name: 4-amino-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-nitro-benzamide CAS Name: 4-amino-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-nitrobenzamide IUPAC Name: 4-amino-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-nitrobenzamide Traditional Name: 4-amino-N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-nitro-benzamide Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O3S/c1-27-9-8-15(17-20-13-4-2-3-5-14(13)21-17)22-18(24)11-6-7-12(19)16(10-11)23(25)26/h2-7,10,15H,8-9,19H2,1H3,(H,20,21)(H,22,24)/t15-/m0/s1