3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-3-piperonyl-2-thioxo-1H-quinazolin-4-one Formula: C28H26N4O5S MolecularWeight: 530.59484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(C=C3)C(=O)N(C(=S)N4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C28H26N4O5S/c1-35-21-6-4-20(5-7-21)30-10-12-31(13-11-30)26(33)19-3-8-22-23(15-19)29-28(38)32(27(22)34)16-18-2-9-24-25(14-18)37-17-36-24/h2-9,14-15H,10-13,16-17H2,1H3,(H,29,38)