3-methyl-4-oxidanylidene-N-[[2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide

Systemtic Name: 3-methyl-4-oxidanylidene-N-[[2-[(2-oxidanylidenepyrrolidin-1-yl)methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Openeye Name: 3-methyl-4-oxo-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-thioxo-1H-quinazoline-7-carboxamide CAS Name: 3-methyl-4-oxo-N-[[2-[(2-oxo-1-pyrrolidinyl)methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide IUPAC Name: 3-methyl-4-oxo-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-sulfanylidene-1H-quinazoline-7-carboxamide Traditional Name: 4-keto-N-[2-[(2-ketopyrrolidino)methyl]benzyl]-3-methyl-2-thioxo-1H-quinazoline-7-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4CCCC4=O)NC1=S

Isomeric SMILES

CN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=CC=CC=C3CN4CCCC4=O)NC1=S

InChI

InChI=1S/C22H22N4O3S/c1-25-21(29)17-9-8-14(11-18(17)24-22(25)30)20(28)23-12-15-5-2-3-6-16(15)13-26-10-4-7-19(26)27/h2-3,5-6,8-9,11H,4,7,10,12-13H2,1H3,(H,23,28)(H,24,30)