N-[4-[[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]methyl]phenyl]cyclopropanecarboxamide

Systemtic Name: N-[4-[[6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]methyl]phenyl]cyclopropanecarboxamide Openeye Name: N-[4-[[6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)hexanoylamino]methyl]phenyl]cyclopropanecarboxamide CAS Name: N-[4-[[[1-oxo-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexyl]amino]methyl]phenyl]cyclopropanecarboxamide IUPAC Name: N-[4-[[6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanoylamino]methyl]phenyl]cyclopropanecarboxamide Traditional Name: N-[4-[[6-(4-keto-2-thioxo-1H-quinazolin-3-yl)hexanoylamino]methyl]phenyl]cyclopropanecarboxamide Formula: C25H28N4O3S MolecularWeight: 464.57982

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)NC2=CC=C(C=C2)CNC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CC1C(=O)NC2=CC=C(C=C2)CNC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C25H28N4O3S/c30-22(26-16-17-9-13-19(14-10-17)27-23(31)18-11-12-18)8-2-1-5-15-29-24(32)20-6-3-4-7-21(20)28-25(29)33/h3-4,6-7,9-10,13-14,18H,1-2,5,8,11-12,15-16H2,(H,26,30)(H,27,31)(H,28,33)