3-nitro-4-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-benzamide

Systemtic Name: 3-nitro-4-[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanyl-benzamide CAS Name: 3-nitro-4-[[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]thio]benzamide IUPAC Name: 3-nitro-4-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]sulfanylbenzamide Traditional Name: 4-[[2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl]thio]-3-nitro-benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c1-11(12-5-3-2-4-6-12)19-16(21)10-25-15-8-7-13(17(18)22)9-14(15)20(23)24/h2-9,11H,10H2,1H3,(H2,18,22)(H,19,21)/t11-/m1/s1