2-(4-chlorophenyl)sulfanyl-5-nitro-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]benzamide

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-5-nitro-N-[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]benzamide Openeye Name: N-[2-(benzylamino)-2-oxo-ethyl]-2-(4-chlorophenyl)sulfanyl-5-nitro-benzamide CAS Name: 2-[(4-chlorophenyl)thio]-5-nitro-N-[2-oxo-2-[(phenylmethyl)amino]ethyl]benzamide IUPAC Name: N-[2-(benzylamino)-2-oxoethyl]-2-(4-chlorophenyl)sulfanyl-5-nitrobenzamide Traditional Name: N-[2-(benzylamino)-2-keto-ethyl]-2-[(4-chlorophenyl)thio]-5-nitro-benzamide Formula: C22H18ClN3O4S MolecularWeight: 455.91402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H18ClN3O4S/c23-16-6-9-18(10-7-16)31-20-11-8-17(26(29)30)12-19(20)22(28)25-14-21(27)24-13-15-4-2-1-3-5-15/h1-12H,13-14H2,(H,24,27)(H,25,28)