1-[3-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide

Systemtic Name: 1-[3-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]-4-oxidanylidene-quinazolin-7-yl]carbonylpiperidine-4-carboxamide Openeye Name: 1-[3-cyclohexyl-4-oxo-2-(p-tolylmethylsulfanyl)quinazoline-7-carbonyl]piperidine-4-carboxamide CAS Name: 1-[[3-cyclohexyl-2-[(4-methylphenyl)methylthio]-4-oxo-7-quinazolinyl]-oxomethyl]-4-piperidinecarboxamide IUPAC Name: 1-[3-cyclohexyl-2-[(4-methylphenyl)methylsulfanyl]-4-oxoquinazoline-7-carbonyl]piperidine-4-carboxamide Traditional Name: 1-[3-cyclohexyl-4-keto-2-[(4-methylbenzyl)thio]quinazoline-7-carbonyl]isonipecotamide Formula: C29H34N4O3S MolecularWeight: 518.67026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C(=O)N2C5CCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C(=O)N)C(=O)N2C5CCCCC5

InChI

InChI=1S/C29H34N4O3S/c1-19-7-9-20(10-8-19)18-37-29-31-25-17-22(27(35)32-15-13-21(14-16-32)26(30)34)11-12-24(25)28(36)33(29)23-5-3-2-4-6-23/h7-12,17,21,23H,2-6,13-16,18H2,1H3,(H2,30,34)