4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[1-(3-chlorophenyl)ethylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-[1-(3-chlorophenyl)ethylamino]-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C17H16ClN3O4S MolecularWeight: 393.84464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=CC=C1)Cl)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC(=CC=C1)Cl)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C17H16ClN3O4S/c1-10(11-3-2-4-13(18)7-11)20-16(22)9-26-15-6-5-12(17(19)23)8-14(15)21(24)25/h2-8,10H,9H2,1H3,(H2,19,23)(H,20,22)