methyl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-butyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]sulfanyl-3-butyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]sulfanyl-3-butyl-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]thio]-3-butyl-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]sulfanyl-3-butyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-4-keto-2-[[2-keto-2-(piperonylamino)ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C24H25N3O6S MolecularWeight: 483.5368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C24H25N3O6S/c1-3-4-9-27-22(29)17-7-6-16(23(30)31-2)11-18(17)26-24(27)34-13-21(28)25-12-15-5-8-19-20(10-15)33-14-32-19/h5-8,10-11H,3-4,9,12-14H2,1-2H3,(H,25,28)