2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-pyridin-2-yl-benzamide

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-pyridin-2-yl-benzamide Openeye Name: 2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-N-(2-pyridyl)benzamide CAS Name: 2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]-N-(2-pyridinyl)benzamide IUPAC Name: 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-pyridin-2-ylbenzamide Traditional Name: 2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]-N-(2-pyridyl)benzamide Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)NC3=CC=CC=N3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)NC3=CC=CC=N3)OC

InChI

InChI=1S/C22H21N3O4S/c1-28-17-11-10-15(13-18(17)29-2)24-21(26)14-30-19-8-4-3-7-16(19)22(27)25-20-9-5-6-12-23-20/h3-13H,14H2,1-2H3,(H,24,26)(H,23,25,27)