N-(3-chloranyl-4-methyl-phenyl)-2-[4-oxidanylidene-3-(3-oxidanylidene-3-piperidin-1-yl-propyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-[4-oxidanylidene-3-(3-oxidanylidene-3-piperidin-1-yl-propyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-[4-oxo-3-[3-oxo-3-(1-piperidyl)propyl]quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-[[4-oxo-3-[3-oxo-3-(1-piperidinyl)propyl]-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-[4-oxo-3-(3-oxo-3-piperidin-1-ylpropyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-[[4-keto-3-(3-keto-3-piperidino-propyl)quinazolin-2-yl]thio]acetamide Formula: C25H27ClN4O3S MolecularWeight: 499.02488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)N4CCCCC4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)N4CCCCC4)Cl

InChI

InChI=1S/C25H27ClN4O3S/c1-17-9-10-18(15-20(17)26)27-22(31)16-34-25-28-21-8-4-3-7-19(21)24(33)30(25)14-11-23(32)29-12-5-2-6-13-29/h3-4,7-10,15H,2,5-6,11-14,16H2,1H3,(H,27,31)