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

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-methyl-5-nitro-N-[2-oxidanylidene-2-(propylamino)ethyl]benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide CAS Name: 2-[(4-chlorophenyl)thio]-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-methyl-5-nitro-N-[2-oxo-2-(propylamino)ethyl]benzamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[2-keto-2-(propylamino)ethyl]-N-methyl-5-nitro-benzamide Formula: C19H20ClN3O4S MolecularWeight: 421.8978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20ClN3O4S/c1-3-10-21-18(24)12-22(2)19(25)16-11-14(23(26)27)6-9-17(16)28-15-7-4-13(20)5-8-15/h4-9,11H,3,10,12H2,1-2H3,(H,21,24)