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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(cyclopropylamino)-3-nitro-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(cyclopropylamino)-3-nitrobenzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(cyclopropylamino)-3-nitro-benzamide Formula: C21H23N5O3S MolecularWeight: 425.50402

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C21H23N5O3S/c1-30-11-10-18(20-23-15-4-2-3-5-16(15)24-20)25-21(27)13-6-9-17(22-14-7-8-14)19(12-13)26(28)29/h2-6,9,12,14,18,22H,7-8,10-11H2,1H3,(H,23,24)(H,25,27)/t18-/m0/s1