3-(3-chlorophenyl)-2-[4-methyl-1-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(3-chlorophenyl)-2-[4-methyl-1-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-(3-chlorophenyl)-2-[3-methyl-1-[4-(2-pyridyl)piperazine-1-carbonyl]butyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-chlorophenyl)-2-[[4-methyl-1-oxo-1-[4-(2-pyridinyl)-1-piperazinyl]pentan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-(3-chlorophenyl)-2-[4-methyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)pentan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-(3-chlorophenyl)-2-[[3-methyl-1-[4-(2-pyridyl)piperazine-1-carbonyl]butyl]thio]quinazolin-4-one Formula: C29H30ClN5O2S MolecularWeight: 548.0988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CCN(CC1)C2=CC=CC=N2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl

Isomeric SMILES

CC(C)CC(C(=O)N1CCN(CC1)C2=CC=CC=N2)SC3=NC4=CC=CC=C4C(=O)N3C5=CC(=CC=C5)Cl

InChI

InChI=1S/C29H30ClN5O2S/c1-20(2)18-25(28(37)34-16-14-33(15-17-34)26-12-5-6-13-31-26)38-29-32-24-11-4-3-10-23(24)27(36)35(29)22-9-7-8-21(30)19-22/h3-13,19-20,25H,14-18H2,1-2H3