3-[(4-piperidin-1-ylcarbonylcyclohexyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[(4-piperidin-1-ylcarbonylcyclohexyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[4-[oxo(1-piperidinyl)methyl]cyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[[4-(piperidine-1-carbonyl)cyclohexyl]methyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CCN(CC1)C(=O)C2CCC(CC2)CN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H27N3O2S/c25-19(23-12-4-1-5-13-23)16-10-8-15(9-11-16)14-24-20(26)17-6-2-3-7-18(17)22-21(24)27/h2-3,6-7,15-16H,1,4-5,8-14H2,(H,22,27)