N-[3-[[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[3-[[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[3-[[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[3-[[[1-oxo-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[3-[[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[3-[[3-(4-keto-2-thioxo-1H-quinazolin-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CC1C(=O)NC2=CC=CC(=C2)CNC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C22H22N4O3S/c27-19(10-11-26-21(29)17-6-1-2-7-18(17)25-22(26)30)23-13-14-4-3-5-16(12-14)24-20(28)15-8-9-15/h1-7,12,15H,8-11,13H2,(H,23,27)(H,24,28)(H,25,30)