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

Systemtic Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-4-oxidanylidene-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-4-oxo-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-methyl-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: N-homopiperonyl-4-keto-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C19H17N3O4S MolecularWeight: 383.42098

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CC4=C(C=C3)OCO4)NC1=S

InChI

InChI=1S/C19H17N3O4S/c1-22-18(24)13-4-3-12(9-14(13)21-19(22)27)17(23)20-7-6-11-2-5-15-16(8-11)26-10-25-15/h2-5,8-9H,6-7,10H2,1H3,(H,20,23)(H,21,27)