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

Systemtic Name: 4-[2-[1-(4-methylphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 3-nitro-4-[2-oxo-2-[1-(p-tolyl)ethylamino]ethyl]sulfanyl-benzamide CAS Name: 4-[[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-[1-(4-methylphenyl)ethylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-keto-2-[1-(p-tolyl)ethylamino]ethyl]thio]-3-nitro-benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C)NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O4S/c1-11-3-5-13(6-4-11)12(2)20-17(22)10-26-16-8-7-14(18(19)23)9-15(16)21(24)25/h3-9,12H,10H2,1-2H3,(H2,19,23)(H,20,22)