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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-3-[3-(2-oxidanylidenepyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3-[3-(2-oxo-1-pyrrolidinyl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-3-[3-(2-ketopyrrolidino)propyl]-N-piperonyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C24H24N4O5S MolecularWeight: 480.53616

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)CCCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)NC2=S

Isomeric SMILES

C1CC(=O)N(C1)CCCN2C(=O)C3=C(C=C(C=C3)C(=O)NCC4=CC5=C(C=C4)OCO5)NC2=S

InChI

InChI=1S/C24H24N4O5S/c29-21-3-1-8-27(21)9-2-10-28-23(31)17-6-5-16(12-18(17)26-24(28)34)22(30)25-13-15-4-7-19-20(11-15)33-14-32-19/h4-7,11-12H,1-3,8-10,13-14H2,(H,25,30)(H,26,34)