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

Systemtic Name: 3-[6-[4-(2-cyclopentylethanoyl)piperazin-1-yl]-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-[4-(2-cyclopentylacetyl)piperazin-1-yl]-6-oxo-hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-[4-(2-cyclopentyl-1-oxoethyl)-1-piperazinyl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-[4-(2-cyclopentylacetyl)piperazin-1-yl]-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-[4-(2-cyclopentylacetyl)piperazino]-6-keto-hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H34N4O3S MolecularWeight: 470.62746

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CC(=O)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CCC(C1)CC(=O)N2CCN(CC2)C(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C25H34N4O3S/c30-22(27-14-16-28(17-15-27)23(31)18-19-8-3-4-9-19)12-2-1-7-13-29-24(32)20-10-5-6-11-21(20)26-25(29)33/h5-6,10-11,19H,1-4,7-9,12-18H2,(H,26,33)