N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3-methoxypropyl)-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3-methoxypropyl)-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(3-methoxypropyl)-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-homopiperonyl-4-keto-3-(3-methoxypropyl)-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4)NC1=S

Isomeric SMILES

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4)NC1=S

InChI

InChI=1S/C22H23N3O5S/c1-28-10-2-9-25-21(27)16-5-4-15(12-17(16)24-22(25)31)20(26)23-8-7-14-3-6-18-19(11-14)30-13-29-18/h3-6,11-12H,2,7-10,13H2,1H3,(H,23,26)(H,24,31)