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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[1-(butylamino)-1-oxidanylidene-butan-2-yl]sulfanyl-N-(2-methoxyethyl)-4-oxidanylidene-quinazoline-7-carboxamide Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[1-(butylcarbamoyl)propylsulfanyl]-N-(2-methoxyethyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[[1-(butylamino)-1-oxobutan-2-yl]thio]-N-(2-methoxyethyl)-4-oxo-7-quinazolinecarboxamide IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[1-(butylamino)-1-oxobutan-2-yl]sulfanyl-N-(2-methoxyethyl)-4-oxoquinazoline-7-carboxamide Traditional Name: 2-[1-(butylcarbamoyl)propylthio]-4-keto-N-(2-methoxyethyl)-3-piperonyl-quinazoline-7-carboxamide Formula: C28H34N4O6S MolecularWeight: 554.65776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(CC)SC1=NC2=C(C=CC(=C2)C(=O)NCCOC)C(=O)N1CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCNC(=O)C(CC)SC1=NC2=C(C=CC(=C2)C(=O)NCCOC)C(=O)N1CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C28H34N4O6S/c1-4-6-11-29-26(34)24(5-2)39-28-31-21-15-19(25(33)30-12-13-36-3)8-9-20(21)27(35)32(28)16-18-7-10-22-23(14-18)38-17-37-22/h7-10,14-15,24H,4-6,11-13,16-17H2,1-3H3,(H,29,34)(H,30,33)