2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-cyclohexyl-7-piperidin-1-ylcarbonyl-quinazolin-4-one

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-cyclohexyl-7-piperidin-1-ylcarbonyl-quinazolin-4-one Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-cyclohexyl-7-(piperidine-1-carbonyl)quinazolin-4-one CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-cyclohexyl-7-[oxo(1-piperidinyl)methyl]-4-quinazolinone IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-3-cyclohexyl-7-(piperidine-1-carbonyl)quinazolin-4-one Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-3-cyclohexyl-7-(piperidine-1-carbonyl)quinazolin-4-one Formula: C28H31N5O2S MolecularWeight: 501.64304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCCCC4)N=C2SCC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C28H31N5O2S/c34-26(32-15-7-2-8-16-32)19-13-14-21-24(17-19)31-28(33(27(21)35)20-9-3-1-4-10-20)36-18-25-29-22-11-5-6-12-23(22)30-25/h5-6,11-14,17,20H,1-4,7-10,15-16,18H2,(H,29,30)