4-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])C

InChI

InChI=1S/C18H19N3O4S/c1-3-12-6-4-5-11(2)17(12)20-16(22)10-26-15-8-7-13(18(19)23)9-14(15)21(24)25/h4-9H,3,10H2,1-2H3,(H2,19,23)(H,20,22)