N-(2,4-dimethoxyphenyl)-2-[4-oxidanylidene-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2,4-dimethoxyphenyl)-2-[4-oxidanylidene-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2,4-dimethoxyphenyl)-2-[4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2,4-dimethoxyphenyl)-2-[[4-oxo-3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2,4-dimethoxyphenyl)-2-[4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(2,4-dimethoxyphenyl)-2-[[4-keto-3-[3-keto-3-(4-phenylpiperazino)propyl]quinazolin-2-yl]thio]acetamide Formula: C31H33N5O5S MolecularWeight: 587.68922

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)N4CCN(CC4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)N4CCN(CC4)C5=CC=CC=C5)OC

InChI

InChI=1S/C31H33N5O5S/c1-40-23-12-13-26(27(20-23)41-2)32-28(37)21-42-31-33-25-11-7-6-10-24(25)30(39)36(31)15-14-29(38)35-18-16-34(17-19-35)22-8-4-3-5-9-22/h3-13,20H,14-19,21H2,1-2H3,(H,32,37)