N-(3,4-dimethoxyphenyl)-2-[2-[4-(3-methylbutanoyl)piperazin-1-yl]carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[2-[4-(3-methylbutanoyl)piperazin-1-yl]carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[2-[4-(3-methylbutanoyl)piperazine-1-carbonyl]phenyl]sulfanyl-acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[[2-[[4-(3-methyl-1-oxobutyl)-1-piperazinyl]-oxomethyl]phenyl]thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[2-[4-(3-methylbutanoyl)piperazine-1-carbonyl]phenyl]sulfanylacetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[[2-(4-isovalerylpiperazine-1-carbonyl)phenyl]thio]acetamide Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SCC(=O)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC(C)CC(=O)N1CCN(CC1)C(=O)C2=CC=CC=C2SCC(=O)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H33N3O5S/c1-18(2)15-25(31)28-11-13-29(14-12-28)26(32)20-7-5-6-8-23(20)35-17-24(30)27-19-9-10-21(33-3)22(16-19)34-4/h5-10,16,18H,11-15,17H2,1-4H3,(H,27,30)