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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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