2-[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]sulfanyl-3-propyl-quinazolin-4-one

Systemtic Name: 2-[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]sulfanyl-3-propyl-quinazolin-4-one Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-propyl-quinazolin-4-one CAS Name: 2-[[1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]thio]-3-propyl-4-quinazolinone IUPAC Name: 2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-propylquinazolin-4-one Traditional Name: 2-[[2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl]thio]-3-propyl-quinazolin-4-one Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H30N4O2S/c1-3-13-29-24(31)21-11-7-8-12-22(21)26-25(29)32-19(2)23(30)28-16-14-27(15-17-28)18-20-9-5-4-6-10-20/h4-12,19H,3,13-18H2,1-2H3