3-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxamide

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-2-[[2-(2-methoxyethylamino)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-2-[2-(2-methoxyethylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxamide Traditional Name: 4-keto-2-[[2-keto-2-(2-methoxyethylamino)ethyl]thio]-N-(2-methoxyethyl)-3-piperonyl-quinazoline-7-carboxamide Formula: C25H28N4O7S MolecularWeight: 528.57742

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCCOC)C(=O)N1CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COCCNC(=O)CSC1=NC2=C(C=CC(=C2)C(=O)NCCOC)C(=O)N1CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H28N4O7S/c1-33-9-7-26-22(30)14-37-25-28-19-12-17(23(31)27-8-10-34-2)4-5-18(19)24(32)29(25)13-16-3-6-20-21(11-16)36-15-35-20/h3-6,11-12H,7-10,13-15H2,1-2H3,(H,26,30)(H,27,31)