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

Systemtic Name: 2-(4-chlorophenyl)sulfanyl-N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-5-nitro-benzamide Openeye Name: 2-(4-chlorophenyl)sulfanyl-N-[2-(cyclopropylamino)-2-oxo-ethyl]-5-nitro-benzamide CAS Name: 2-[(4-chlorophenyl)thio]-N-[2-(cyclopropylamino)-2-oxoethyl]-5-nitrobenzamide IUPAC Name: 2-(4-chlorophenyl)sulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-5-nitrobenzamide Traditional Name: 2-[(4-chlorophenyl)thio]-N-[2-(cyclopropylamino)-2-keto-ethyl]-5-nitro-benzamide Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC1NC(=O)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O4S/c19-11-1-6-14(7-2-11)27-16-8-5-13(22(25)26)9-15(16)18(24)20-10-17(23)21-12-3-4-12/h1-2,5-9,12H,3-4,10H2,(H,20,24)(H,21,23)