4-(4-chlorophenyl)sulfanyl-N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-3-nitro-benzamide

Systemtic Name: 4-(4-chlorophenyl)sulfanyl-N-[2-(cyclopropylamino)-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: 4-(4-chlorophenyl)sulfanyl-N-[2-(cyclopropylamino)-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-[(4-chlorophenyl)thio]-N-[2-(cyclopropylamino)-2-oxoethyl]-3-nitrobenzamide IUPAC Name: 4-(4-chlorophenyl)sulfanyl-N-[2-(cyclopropylamino)-2-oxoethyl]-3-nitrobenzamide Traditional Name: 4-[(4-chlorophenyl)thio]-N-[2-(cyclopropylamino)-2-keto-ethyl]-3-nitro-benzamide Formula: C18H16ClN3O4S MolecularWeight: 405.85534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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