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

Systemtic Name: N-(2-methoxyphenyl)-2-[4-oxidanylidene-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-methoxyphenyl)-2-[4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-methoxyphenyl)-2-[[4-oxo-3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-methoxyphenyl)-2-[4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-[3-keto-3-(4-phenylpiperazino)propyl]quinazolin-2-yl]thio]-N-(2-methoxyphenyl)acetamide Formula: C30H31N5O4S MolecularWeight: 557.66324

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C30H31N5O4S/c1-39-26-14-8-7-13-25(26)31-27(36)21-40-30-32-24-12-6-5-11-23(24)29(38)35(30)16-15-28(37)34-19-17-33(18-20-34)22-9-3-2-4-10-22/h2-14H,15-21H2,1H3,(H,31,36)