4-[2-[(4,5-dimethoxy-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide

Systemtic Name: 4-[2-[(4,5-dimethoxy-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-nitro-benzamide Openeye Name: 4-[2-(4,5-dimethoxy-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-3-nitro-benzamide CAS Name: 4-[[2-(4,5-dimethoxy-2-methylanilino)-2-oxoethyl]thio]-3-nitrobenzamide IUPAC Name: 4-[2-(4,5-dimethoxy-2-methylanilino)-2-oxoethyl]sulfanyl-3-nitrobenzamide Traditional Name: 4-[[2-(4,5-dimethoxy-2-methyl-anilino)-2-keto-ethyl]thio]-3-nitro-benzamide Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)CSC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])OC)OC

InChI

InChI=1S/C18H19N3O6S/c1-10-6-14(26-2)15(27-3)8-12(10)20-17(22)9-28-16-5-4-11(18(19)23)7-13(16)21(24)25/h4-8H,9H2,1-3H3,(H2,19,23)(H,20,22)