3-[7-[4-(3-chlorophenyl)piperazin-1-yl]-7-oxidanylidene-heptyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[7-[4-(3-chlorophenyl)piperazin-1-yl]-7-oxidanylidene-heptyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[7-[4-(3-chlorophenyl)piperazin-1-yl]-7-oxo-heptyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[7-[4-(3-chlorophenyl)-1-piperazinyl]-7-oxoheptyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[7-[4-(3-chlorophenyl)piperazin-1-yl]-7-oxoheptyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[7-[4-(3-chlorophenyl)piperazino]-7-keto-heptyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H29ClN4O2S MolecularWeight: 485.04136

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCN1C2=CC(=CC=C2)Cl)C(=O)CCCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C25H29ClN4O2S/c26-19-8-7-9-20(18-19)28-14-16-29(17-15-28)23(31)12-3-1-2-6-13-30-24(32)21-10-4-5-11-22(21)27-25(30)33/h4-5,7-11,18H,1-3,6,12-17H2,(H,27,33)