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

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-ethoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-ethoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-ethoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3-(3-ethoxypropyl)-4-keto-2-thioxo-1H-quinazoline-7-carboxamide Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3COC4=CC=CC=C4O3)NC1=S

Isomeric SMILES

CCOCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3COC4=CC=CC=C4O3)NC1=S

InChI

InChI=1S/C23H25N3O5S/c1-2-29-11-5-10-26-22(28)17-9-8-15(12-18(17)25-23(26)32)21(27)24-13-16-14-30-19-6-3-4-7-20(19)31-16/h3-4,6-9,12,16H,2,5,10-11,13-14H2,1H3,(H,24,27)(H,25,32)