N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]-4-chloranyl-3-nitro-benzamide

Systemtic Name: N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl]-4-chloranyl-3-nitro-benzamide Openeye Name: N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxo-ethyl]-4-chloro-3-nitro-benzamide CAS Name: N-[2-[2-[(4-bromophenyl)thio]ethylamino]-2-oxoethyl]-4-chloro-3-nitrobenzamide IUPAC Name: N-[2-[2-(4-bromophenyl)sulfanylethylamino]-2-oxoethyl]-4-chloro-3-nitrobenzamide Traditional Name: N-[2-[2-[(4-bromophenyl)thio]ethylamino]-2-keto-ethyl]-4-chloro-3-nitro-benzamide Formula: C17H15BrClN3O4S MolecularWeight: 472.7407

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCNC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1SCCNC(=O)CNC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])Br

InChI

InChI=1S/C17H15BrClN3O4S/c18-12-2-4-13(5-3-12)27-8-7-20-16(23)10-21-17(24)11-1-6-14(19)15(9-11)22(25)26/h1-6,9H,7-8,10H2,(H,20,23)(H,21,24)