2-[4-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)butyl]-1H-quinazolin-4-one

Systemtic Name: 2-[4-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)butyl]-1H-quinazolin-4-one Openeye Name: 2-[4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butyl]-1H-quinazolin-4-one CAS Name: 2-[4-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]butyl]-1H-quinazolin-4-one IUPAC Name: 2-[4-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]butyl]-1H-quinazolin-4-one Traditional Name: 2-[4-keto-4-[4-(2-thenoyl)piperazino]butyl]-1H-quinazolin-4-one Formula: C21H22N4O3S MolecularWeight: 410.48938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CCCC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC=CS4

InChI

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