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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-2-[2-(3-methoxypropylamino)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-2-[2-(3-methoxypropylamino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-2-[[2-(3-methoxypropylamino)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-N-(2-methoxyethyl)-2-[2-(3-methoxypropylamino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxamide Traditional Name: 4-keto-2-[[2-keto-2-(3-methoxypropylamino)ethyl]thio]-N-(2-methoxyethyl)-3-piperonyl-quinazoline-7-carboxamide Formula: C26H30N4O7S MolecularWeight: 542.604

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O7S/c1-34-10-3-8-27-23(31)15-38-26-29-20-13-18(24(32)28-9-11-35-2)5-6-19(20)25(33)30(26)14-17-4-7-21-22(12-17)37-16-36-21/h4-7,12-13H,3,8-11,14-16H2,1-2H3,(H,27,31)(H,28,32)