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

Systemtic Name: 3-butyl-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-butyl-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-butyl-2-[[2-[4-(4-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-4-quinazolinone IUPAC Name: 3-butyl-2-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]sulfanylquinazolin-4-one Traditional Name: 3-butyl-2-[[2-keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]thio]quinazolin-4-one Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H30N4O3S/c1-3-4-13-29-24(31)21-7-5-6-8-22(21)26-25(29)33-18-23(30)28-16-14-27(15-17-28)19-9-11-20(32-2)12-10-19/h5-12H,3-4,13-18H2,1-2H3