3-[6-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[6-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-oxo-hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-[4-(4-hydroxyphenyl)-1-piperazinyl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-[4-(4-hydroxyphenyl)piperazin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-[4-(4-hydroxyphenyl)piperazino]-6-keto-hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C24H28N4O3S MolecularWeight: 452.56912

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)O)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)O)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C24H28N4O3S/c29-19-11-9-18(10-12-19)26-14-16-27(17-15-26)22(30)8-2-1-5-13-28-23(31)20-6-3-4-7-21(20)25-24(28)32/h3-4,6-7,9-12,29H,1-2,5,8,13-17H2,(H,25,32)