3-[[4-[4-(phenylmethyl)piperazin-1-yl]carbonylcyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[[4-[4-(phenylmethyl)piperazin-1-yl]carbonylcyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[[4-(4-benzylpiperazine-1-carbonyl)cyclohexyl]methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]cyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[[4-(4-benzylpiperazine-1-carbonyl)cyclohexyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[[4-(4-benzylpiperazine-1-carbonyl)cyclohexyl]methyl]-2-thioxo-1H-quinazolin-4-one Formula: C27H32N4O2S MolecularWeight: 476.63358

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CN2C(=O)C3=CC=CC=C3NC2=S)C(=O)N4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CC(CCC1CN2C(=O)C3=CC=CC=C3NC2=S)C(=O)N4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C27H32N4O2S/c32-25(30-16-14-29(15-17-30)18-20-6-2-1-3-7-20)22-12-10-21(11-13-22)19-31-26(33)23-8-4-5-9-24(23)28-27(31)34/h1-9,21-22H,10-19H2,(H,28,34)