3-cyclohexyl-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-cyclohexyl-7-(4-phenylpiperazin-1-yl)carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-cyclohexyl-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one CAS Name: 3-cyclohexyl-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-cyclohexyl-7-(4-phenylpiperazine-1-carbonyl)-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-cyclohexyl-7-(4-phenylpiperazine-1-carbonyl)-2-thioxo-1H-quinazolin-4-one Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)NC2=S

Isomeric SMILES

C1CCC(CC1)N2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5)NC2=S

InChI

InChI=1S/C25H28N4O2S/c30-23(28-15-13-27(14-16-28)19-7-3-1-4-8-19)18-11-12-21-22(17-18)26-25(32)29(24(21)31)20-9-5-2-6-10-20/h1,3-4,7-8,11-12,17,20H,2,5-6,9-10,13-16H2,(H,26,32)