2-[(2,4-dimethylphenyl)methylsulfanyl]-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one

Systemtic Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-3-[3-oxidanylidene-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one Openeye Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one CAS Name: 2-[(2,4-dimethylphenyl)methylthio]-3-[3-oxo-3-(4-phenyl-1-piperazinyl)propyl]-4-quinazolinone IUPAC Name: 2-[(2,4-dimethylphenyl)methylsulfanyl]-3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]quinazolin-4-one Traditional Name: 2-[(2,4-dimethylbenzyl)thio]-3-[3-keto-3-(4-phenylpiperazino)propyl]quinazolin-4-one Formula: C30H32N4O2S MolecularWeight: 512.66568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)N4CCN(CC4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC(=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CCC(=O)N4CCN(CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C30H32N4O2S/c1-22-12-13-24(23(2)20-22)21-37-30-31-27-11-7-6-10-26(27)29(36)34(30)15-14-28(35)33-18-16-32(17-19-33)25-8-4-3-5-9-25/h3-13,20H,14-19,21H2,1-2H3