4-chloranyl-3-nitro-N-[(2S)-1-oxidanylidene-1-(2-phenylsulfanylethylamino)propan-2-yl]benzamide

Systemtic Name: 4-chloranyl-3-nitro-N-[(2S)-1-oxidanylidene-1-(2-phenylsulfanylethylamino)propan-2-yl]benzamide Openeye Name: 4-chloro-N-[(1S)-1-methyl-2-oxo-2-(2-phenylsulfanylethylamino)ethyl]-3-nitro-benzamide CAS Name: 4-chloro-3-nitro-N-[(2S)-1-oxo-1-[2-(phenylthio)ethylamino]propan-2-yl]benzamide IUPAC Name: 4-chloro-3-nitro-N-[(2S)-1-oxo-1-(2-phenylsulfanylethylamino)propan-2-yl]benzamide Traditional Name: 4-chloro-N-[(1S)-2-keto-1-methyl-2-[2-(phenylthio)ethylamino]ethyl]-3-nitro-benzamide Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCSC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NCCSC1=CC=CC=C1)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O4S/c1-12(17(23)20-9-10-27-14-5-3-2-4-6-14)21-18(24)13-7-8-15(19)16(11-13)22(25)26/h2-8,11-12H,9-10H2,1H3,(H,20,23)(H,21,24)/t12-/m0/s1