3-ethyl-N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-ethyl-N-[1-(furan-3-ylcarbonyl)piperidin-4-yl]-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-ethyl-N-[1-(furan-3-carbonyl)-4-piperidyl]-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-ethyl-N-[1-[3-furanyl(oxo)methyl]-4-piperidinyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-ethyl-N-[1-(furan-3-carbonyl)piperidin-4-yl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 3-ethyl-N-[1-(3-furoyl)-4-piperidyl]-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCN(CC3)C(=O)C4=COC=C4)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)NC3CCN(CC3)C(=O)C4=COC=C4)NC1=S

InChI

InChI=1S/C21H22N4O4S/c1-2-25-20(28)16-4-3-13(11-17(16)23-21(25)30)18(26)22-15-5-8-24(9-6-15)19(27)14-7-10-29-12-14/h3-4,7,10-12,15H,2,5-6,8-9H2,1H3,(H,22,26)(H,23,30)