2-sulfanylidene-7-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]carbonyl-1H-quinazolin-4-one

Systemtic Name: 2-sulfanylidene-7-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]carbonyl-1H-quinazolin-4-one Openeye Name: 7-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 7-[oxo-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1-piperazinyl]methyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 2-sulfanylidene-7-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazine-1-carbonyl]-1H-quinazolin-4-one Traditional Name: 7-[4-[[3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]-2-thioxo-1H-quinazolin-4-one Formula: C20H18N6O3S2 MolecularWeight: 454.52532

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC(=NO2)C3=CC=CS3)C(=O)C4=CC5=C(C=C4)C(=O)NC(=S)N5

Isomeric SMILES

C1CN(CCN1CC2=NC(=NO2)C3=CC=CS3)C(=O)C4=CC5=C(C=C4)C(=O)NC(=S)N5

InChI

InChI=1S/C20H18N6O3S2/c27-18-13-4-3-12(10-14(13)21-20(30)23-18)19(28)26-7-5-25(6-8-26)11-16-22-17(24-29-16)15-2-1-9-31-15/h1-4,9-10H,5-8,11H2,(H2,21,23,27,30)