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

Systemtic Name: N-(4-butan-2-ylphenyl)-2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-benzamide Openeye Name: 2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-N-(4-sec-butylphenyl)benzamide CAS Name: N-(4-butan-2-ylphenyl)-2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]benzamide IUPAC Name: N-(4-butan-2-ylphenyl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide Traditional Name: 2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]-N-(4-sec-butylphenyl)benzamide Formula: C27H30N2O4S MolecularWeight: 478.6031

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC(=O)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C27H30N2O4S/c1-5-18(2)19-10-12-20(13-11-19)29-27(31)22-8-6-7-9-25(22)34-17-26(30)28-21-14-15-23(32-3)24(16-21)33-4/h6-16,18H,5,17H2,1-4H3,(H,28,30)(H,29,31)