3-[4-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[4-[2-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-[2-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-oxo-ethyl]phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-[2-[4-(5-chloro-2-methylphenyl)-1-piperazinyl]-2-oxoethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-[2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-oxoethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-[2-[4-(5-chloro-2-methyl-phenyl)piperazino]-2-keto-ethyl]phenyl]-2-thioxo-1H-quinazolin-4-one Formula: C27H25ClN4O2S MolecularWeight: 505.031

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)CC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C27H25ClN4O2S/c1-18-6-9-20(28)17-24(18)30-12-14-31(15-13-30)25(33)16-19-7-10-21(11-8-19)32-26(34)22-4-2-3-5-23(22)29-27(32)35/h2-11,17H,12-16H2,1H3,(H,29,35)