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

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-5-nitro-N-[2-oxidanylidene-2-(propylamino)ethyl]benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide CAS Name: 2-[(4-chlorophenyl)thio]-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[2-keto-2-(propylamino)ethyl]-5-nitro-benzamide Formula: C18H18ClN3O4S MolecularWeight: 407.87122

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCNC(=O)CNC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClN3O4S/c1-2-9-20-17(23)11-21-18(24)15-10-13(22(25)26)5-8-16(15)27-14-6-3-12(19)4-7-14/h3-8,10H,2,9,11H2,1H3,(H,20,23)(H,21,24)