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

Systemtic Name: 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-keto-2-[4-(2-methoxyphenyl)piperazino]ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C21H22N4O3S/c1-28-18-9-5-4-8-17(18)23-10-12-24(13-11-23)19(26)14-25-20(27)15-6-2-3-7-16(15)22-21(25)29/h2-9H,10-14H2,1H3,(H,22,29)