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

Systemtic Name: 3-[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[2-oxo-2-[4-(2-phenoxyethyl)-1-piperazinyl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-1-yl]ethyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[2-keto-2-[4-(2-phenoxyethyl)piperazino]ethyl]-2-thioxo-1H-quinazolin-4-one Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)CN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C22H24N4O3S/c27-20(16-26-21(28)18-8-4-5-9-19(18)23-22(26)30)25-12-10-24(11-13-25)14-15-29-17-6-2-1-3-7-17/h1-9H,10-16H2,(H,23,30)