N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethyl-N-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethyl-N-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethyl-N-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethyl-N-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethyl-N-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-ethyl-4-keto-N-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3COC4=CC=CC=C4O3)NC1=S

Isomeric SMILES

CCN1C(=O)C2=C(C=C(C=C2)C(=O)N(C)CC3COC4=CC=CC=C4O3)NC1=S

InChI

InChI=1S/C21H21N3O4S/c1-3-24-20(26)15-9-8-13(10-16(15)22-21(24)29)19(25)23(2)11-14-12-27-17-6-4-5-7-18(17)28-14/h4-10,14H,3,11-12H2,1-2H3,(H,22,29)