3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxidanylidene-propyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-propyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[3-[4-(2-methoxyphenyl)-1-piperazinyl]-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxopropyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[3-keto-3-[4-(2-methoxyphenyl)piperazino]propyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C22H24N4O3S/c1-29-19-9-5-4-8-18(19)24-12-14-25(15-13-24)20(27)10-11-26-21(28)16-6-2-3-7-17(16)23-22(26)30/h2-9H,10-15H2,1H3,(H,23,30)