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

Systemtic Name: N-(4-methylphenyl)-2-[4-oxidanylidene-3-[4-oxidanylidene-4-(4-phenylpiperazin-1-yl)butyl]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-oxo-3-[4-oxo-4-(4-phenylpiperazin-1-yl)butyl]quinazolin-2-yl]sulfanyl-N-(p-tolyl)acetamide CAS Name: N-(4-methylphenyl)-2-[[4-oxo-3-[4-oxo-4-(4-phenyl-1-piperazinyl)butyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-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-(p-tolyl)acetamide Formula: C31H33N5O3S MolecularWeight: 555.69042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C31H33N5O3S/c1-23-13-15-24(16-14-23)32-28(37)22-40-31-33-27-11-6-5-10-26(27)30(39)36(31)17-7-12-29(38)35-20-18-34(19-21-35)25-8-3-2-4-9-25/h2-6,8-11,13-16H,7,12,17-22H2,1H3,(H,32,37)