3-cyclohexyl-7-morpholin-4-ylcarbonyl-2-phenacylsulfanyl-quinazolin-4-one

Systemtic Name: 3-cyclohexyl-7-morpholin-4-ylcarbonyl-2-phenacylsulfanyl-quinazolin-4-one Openeye Name: 3-cyclohexyl-7-(morpholine-4-carbonyl)-2-phenacylsulfanyl-quinazolin-4-one CAS Name: 3-cyclohexyl-7-[4-morpholinyl(oxo)methyl]-2-(phenacylthio)-4-quinazolinone IUPAC Name: 3-cyclohexyl-7-(morpholine-4-carbonyl)-2-phenacylsulfanylquinazolin-4-one Traditional Name: 3-cyclohexyl-7-(morpholine-4-carbonyl)-2-(phenacylthio)quinazolin-4-one Formula: C27H29N3O4S MolecularWeight: 491.60186

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCOCC4)N=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCOCC4)N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C27H29N3O4S/c31-24(19-7-3-1-4-8-19)18-35-27-28-23-17-20(25(32)29-13-15-34-16-14-29)11-12-22(23)26(33)30(27)21-9-5-2-6-10-21/h1,3-4,7-8,11-12,17,21H,2,5-6,9-10,13-16,18H2