4-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]amino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenylethyl]amino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[[(1S)-1-(1H-benzimidazol-2-yl)-2-phenyl-ethyl]amino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C24H21N5O4S MolecularWeight: 475.51964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C2=NC3=CC=CC=C3N2)NC(=O)CSC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C2=NC3=CC=CC=C3N2)NC(=O)CSC4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C24H21N5O4S/c25-23(31)16-10-11-21(20(13-16)29(32)33)34-14-22(30)26-19(12-15-6-2-1-3-7-15)24-27-17-8-4-5-9-18(17)28-24/h1-11,13,19H,12,14H2,(H2,25,31)(H,26,30)(H,27,28)/t19-/m0/s1