N-[3-[2-(4-chlorophenyl)sulfanylethylamino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[2-(4-chlorophenyl)sulfanylethylamino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[2-(4-chlorophenyl)sulfanylethylamino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[2-[(4-chlorophenyl)thio]ethylamino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-(4-chlorophenyl)sulfanylethylamino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-[2-[(4-chlorophenyl)thio]ethylamino]-3-keto-propyl]-4-nitro-benzamide Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NCCC(=O)NCCSC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NCCC(=O)NCCSC2=CC=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H18ClN3O4S/c19-14-3-7-16(8-4-14)27-12-11-20-17(23)9-10-21-18(24)13-1-5-15(6-2-13)22(25)26/h1-8H,9-12H2,(H,20,23)(H,21,24)