7-[4-(2-phenoxyethyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 7-[4-(2-phenoxyethyl)piperazin-1-yl]carbonyl-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 7-[4-(2-phenoxyethyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[oxo-[4-(2-phenoxyethyl)-1-piperazinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 7-[4-(2-phenoxyethyl)piperazine-1-carbonyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 7-[4-(2-phenoxyethyl)piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)C(=O)C3=CC4=C(C=C3)C(=O)NC(=S)N4

InChI

InChI=1S/C21H22N4O3S/c26-19-17-7-6-15(14-18(17)22-21(29)23-19)20(27)25-10-8-24(9-11-25)12-13-28-16-4-2-1-3-5-16/h1-7,14H,8-13H2,(H2,22,23,26,29)