2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-ethylphenyl)benzamide

Systemtic Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-N-(4-ethylphenyl)benzamide Openeye Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-N-(4-ethylphenyl)benzamide CAS Name: 2-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]thio]-N-(4-ethylphenyl)benzamide IUPAC Name: 2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]sulfanyl-N-(4-ethylphenyl)benzamide Traditional Name: N-(4-ethylphenyl)-2-[[2-(homoveratrylamino)-2-keto-ethyl]thio]benzamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NCCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NCCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H30N2O4S/c1-4-19-9-12-21(13-10-19)29-27(31)22-7-5-6-8-25(22)34-18-26(30)28-16-15-20-11-14-23(32-2)24(17-20)33-3/h5-14,17H,4,15-16,18H2,1-3H3,(H,28,30)(H,29,31)