6,7-dimethoxy-3-[1-(phenylmethyl)piperidin-4-yl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6,7-dimethoxy-3-[1-(phenylmethyl)piperidin-4-yl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(1-benzyl-4-piperidyl)-6,7-dimethoxy-2-thioxo-1H-quinazolin-4-one CAS Name: 6,7-dimethoxy-3-[1-(phenylmethyl)-4-piperidinyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(1-benzyl-4-piperidyl)-6,7-dimethoxy-2-thioxo-1H-quinazolin-4-one Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)C3CCN(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)C3CCN(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C22H25N3O3S/c1-27-19-12-17-18(13-20(19)28-2)23-22(29)25(21(17)26)16-8-10-24(11-9-16)14-15-6-4-3-5-7-15/h3-7,12-13,16H,8-11,14H2,1-2H3,(H,23,29)