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

Systemtic Name: 6,7-diethoxy-3-[1-(phenylmethyl)piperidin-4-yl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(1-benzyl-4-piperidyl)-6,7-diethoxy-2-thioxo-1H-quinazolin-4-one CAS Name: 6,7-diethoxy-3-[1-(phenylmethyl)-4-piperidinyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(1-benzylpiperidin-4-yl)-6,7-diethoxy-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-(1-benzyl-4-piperidyl)-6,7-diethoxy-2-thioxo-1H-quinazolin-4-one Formula: C24H29N3O3S MolecularWeight: 439.57036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)C3CCN(CC3)CC4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C(=O)N(C(=S)N2)C3CCN(CC3)CC4=CC=CC=C4)OCC

InChI

InChI=1S/C24H29N3O3S/c1-3-29-21-14-19-20(15-22(21)30-4-2)25-24(31)27(23(19)28)18-10-12-26(13-11-18)16-17-8-6-5-7-9-17/h5-9,14-15,18H,3-4,10-13,16H2,1-2H3,(H,25,31)