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

Systemtic Name: N-butan-2-yl-2-[4-oxidanylidene-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: 2-[4-oxo-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-2-yl]sulfanyl-N-sec-butyl-acetamide CAS Name: N-butan-2-yl-2-[[4-oxo-3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-butan-2-yl-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-sec-butyl-acetamide Formula: C27H33N5O3S MolecularWeight: 507.64762

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C27H33N5O3S/c1-3-20(2)28-24(33)19-36-27-29-23-12-8-7-11-22(23)26(35)32(27)14-13-25(34)31-17-15-30(16-18-31)21-9-5-4-6-10-21/h4-12,20H,3,13-19H2,1-2H3,(H,28,33)