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

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]sulfanyl-acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[[2-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]thio]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[2-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]sulfanylacetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[[2-[4-(2-pyrimidyl)piperazine-1-carbonyl]phenyl]thio]acetamide Formula: C25H27N5O4S MolecularWeight: 493.57798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4=NC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CCN(CC3)C4=NC=CC=N4)OC

InChI

InChI=1S/C25H27N5O4S/c1-33-20-9-8-18(16-21(20)34-2)28-23(31)17-35-22-7-4-3-6-19(22)24(32)29-12-14-30(15-13-29)25-26-10-5-11-27-25/h3-11,16H,12-15,17H2,1-2H3,(H,28,31)