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

Systemtic Name: 3-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxo-ethyl]phenyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[4-[2-[4-(3-chlorophenyl)-1-piperazinyl]-2-oxoethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]phenyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[4-[2-[4-(3-chlorophenyl)piperazino]-2-keto-ethyl]phenyl]-2-thioxo-1H-quinazolin-4-one Formula: C26H23ClN4O2S MolecularWeight: 491.00442

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CC3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5NC4=S

InChI

InChI=1S/C26H23ClN4O2S/c27-19-4-3-5-21(17-19)29-12-14-30(15-13-29)24(32)16-18-8-10-20(11-9-18)31-25(33)22-6-1-2-7-23(22)28-26(31)34/h1-11,17H,12-16H2,(H,28,34)