3-(3-chlorophenyl)-8-methyl-2-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)hexan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-chlorophenyl)-8-methyl-2-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)hexan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chlorophenyl)-8-methyl-2-[1-(4-phenylpiperazine-1-carbonyl)pentylsulfanyl]quinazolin-4-one CAS Name: 3-(3-chlorophenyl)-8-methyl-2-[[1-oxo-1-(4-phenyl-1-piperazinyl)hexan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-(3-chlorophenyl)-8-methyl-2-[1-oxo-1-(4-phenylpiperazin-1-yl)hexan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-(3-chlorophenyl)-8-methyl-2-[1-(4-phenylpiperazine-1-carbonyl)pentylthio]quinazolin-4-one Formula: C31H33ClN4O2S MolecularWeight: 561.13732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NC4=C(C=CC=C4C)C(=O)N3C5=CC(=CC=C5)Cl

Isomeric SMILES

CCCCC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NC4=C(C=CC=C4C)C(=O)N3C5=CC(=CC=C5)Cl

InChI

InChI=1S/C31H33ClN4O2S/c1-3-4-16-27(30(38)35-19-17-34(18-20-35)24-12-6-5-7-13-24)39-31-33-28-22(2)10-8-15-26(28)29(37)36(31)25-14-9-11-23(32)21-25/h5-15,21,27H,3-4,16-20H2,1-2H3