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

Systemtic Name: N-(4-ethylphenyl)-2-[4-oxidanylidene-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-ethylphenyl)-2-[4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-ethylphenyl)-2-[[4-oxo-3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-ethylphenyl)-2-[4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(4-ethylphenyl)-2-[[4-keto-3-[3-keto-3-(4-phenylpiperazino)propyl]quinazolin-2-yl]thio]acetamide Formula: C31H33N5O3S MolecularWeight: 555.69042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C31H33N5O3S/c1-2-23-12-14-24(15-13-23)32-28(37)22-40-31-33-27-11-7-6-10-26(27)30(39)36(31)17-16-29(38)35-20-18-34(19-21-35)25-8-4-3-5-9-25/h3-15H,2,16-22H2,1H3,(H,32,37)