2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-quinazolin-4-one

Systemtic Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-quinazolin-4-one Openeye Name: 2-[2-oxo-2-[4-(p-tolylsulfonyl)piperazin-1-yl]ethyl]sulfanyl-3-phenyl-quinazolin-4-one CAS Name: 2-[[2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-2-oxoethyl]thio]-3-phenyl-4-quinazolinone IUPAC Name: 2-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-oxoethyl]sulfanyl-3-phenylquinazolin-4-one Traditional Name: 2-[[2-keto-2-(4-tosylpiperazino)ethyl]thio]-3-phenyl-quinazolin-4-one Formula: C27H26N4O4S2 MolecularWeight: 534.64974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4C(=O)N3C5=CC=CC=C5

InChI

InChI=1S/C27H26N4O4S2/c1-20-11-13-22(14-12-20)37(34,35)30-17-15-29(16-18-30)25(32)19-36-27-28-24-10-6-5-9-23(24)26(33)31(27)21-7-3-2-4-8-21/h2-14H,15-19H2,1H3