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

Systemtic Name: 3-butyl-2-[1-oxidanylidene-1-[4-(phenylmethyl)piperazin-1-yl]propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 2-[2-(4-benzylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-butyl-quinazolin-4-one CAS Name: 3-butyl-2-[[1-oxo-1-[4-(phenylmethyl)-1-piperazinyl]propan-2-yl]thio]-4-quinazolinone IUPAC Name: 2-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-butylquinazolin-4-one Traditional Name: 2-[[2-(4-benzylpiperazino)-2-keto-1-methyl-ethyl]thio]-3-butyl-quinazolin-4-one Formula: C26H32N4O2S MolecularWeight: 464.62288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O2S/c1-3-4-14-30-25(32)22-12-8-9-13-23(22)27-26(30)33-20(2)24(31)29-17-15-28(16-18-29)19-21-10-6-5-7-11-21/h5-13,20H,3-4,14-19H2,1-2H3