N-(3-methoxyphenyl)-2-[4-oxidanylidene-3-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-methoxyphenyl)-2-[4-oxidanylidene-3-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-methoxyphenyl)-2-[4-oxo-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-methoxyphenyl)-2-[[4-oxo-3-[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-[4-oxo-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-[4-keto-4-(4-phenylpiperazino)butyl]quinazolin-2-yl]thio]-N-(3-methoxyphenyl)acetamide Formula: C31H33N5O4S MolecularWeight: 571.68982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C31H33N5O4S/c1-40-25-12-7-9-23(21-25)32-28(37)22-41-31-33-27-14-6-5-13-26(27)30(39)36(31)16-8-15-29(38)35-19-17-34(18-20-35)24-10-3-2-4-11-24/h2-7,9-14,21H,8,15-20,22H2,1H3,(H,32,37)