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

Systemtic Name: 2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-N-pentyl-benzamide Openeye Name: 2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-N-pentyl-benzamide CAS Name: 2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]-N-pentylbenzamide IUPAC Name: 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-pentylbenzamide Traditional Name: N-amyl-2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]benzamide Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)C1=CC=CC=C1SCC(=O)NC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CCCCCNC(=O)C1=CC=CC=C1SCC(=O)NC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C22H28N2O4S/c1-4-5-8-13-23-22(26)17-9-6-7-10-20(17)29-15-21(25)24-16-11-12-18(27-2)19(14-16)28-3/h6-7,9-12,14H,4-5,8,13,15H2,1-3H3,(H,23,26)(H,24,25)