N-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3-(2-oxolanylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-piperonyl-3-(tetrahydrofurfuryl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)NC2=S

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)NC2=S

InChI

InChI=1S/C22H21N3O5S/c26-20(23-10-13-3-6-18-19(8-13)30-12-29-18)14-4-5-16-17(9-14)24-22(31)25(21(16)27)11-15-2-1-7-28-15/h3-6,8-9,15H,1-2,7,10-12H2,(H,23,26)(H,24,31)