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

Systemtic Name: N-[4-[[3-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[[3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[[1-oxo-3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[[3-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[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=C(C=C2)CNC(=O)CCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

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

InChI

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