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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)O)C(=O)CCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)O)C(=O)CCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C22H24N4O3S/c27-17-6-3-5-16(15-17)24-11-13-25(14-12-24)20(28)9-4-10-26-21(29)18-7-1-2-8-19(18)23-22(26)30/h1-3,5-8,15,27H,4,9-14H2,(H,23,30)