3-butyl-2-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-butyl-2-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-butyl-2-[1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-butyl-2-[[1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-butyl-2-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-butyl-2-[[2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]thio]quinazolin-4-one Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)N3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2S/c1-3-4-14-29-24(31)21-12-8-9-13-22(21)26-25(29)32-19(2)23(30)28-17-15-27(16-18-28)20-10-6-5-7-11-20/h5-13,19H,3-4,14-18H2,1-2H3