7-(4-cyclohexylpiperazin-1-yl)carbonyl-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-(4-cyclohexylpiperazin-1-yl)carbonyl-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-(4-cyclohexylpiperazine-1-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[(4-cyclohexyl-1-piperazinyl)-oxomethyl]-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-(4-cyclohexylpiperazine-1-carbonyl)-3-[(2-methoxyphenyl)methyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-(4-cyclohexylpiperazine-1-carbonyl)-3-o-anisyl-2-thioxo-1H-quinazolin-4-one Formula: C27H32N4O3S MolecularWeight: 492.63298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5CCCCC5)NC2=S

Isomeric SMILES

COC1=CC=CC=C1CN2C(=O)C3=C(C=C(C=C3)C(=O)N4CCN(CC4)C5CCCCC5)NC2=S

InChI

InChI=1S/C27H32N4O3S/c1-34-24-10-6-5-7-20(24)18-31-26(33)22-12-11-19(17-23(22)28-27(31)35)25(32)30-15-13-29(14-16-30)21-8-3-2-4-9-21/h5-7,10-12,17,21H,2-4,8-9,13-16,18H2,1H3,(H,28,35)