3-(azepan-1-ylcarbonyl)-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazolin-5-one

Systemtic Name: 3-(azepan-1-ylcarbonyl)-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazolin-5-one Openeye Name: 3-(azepane-1-carbonyl)-1-thioxo-4H-thiazolo[3,4-a]quinazolin-5-one CAS Name: 3-[1-azepanyl(oxo)methyl]-1-sulfanylidene-4H-thiazolo[3,4-a]quinazolin-5-one IUPAC Name: 3-(azepane-1-carbonyl)-1-sulfanylidene-4H-[1,3]thiazolo[3,4-a]quinazolin-5-one Traditional Name: 3-(azepane-1-carbonyl)-1-thioxo-4H-thiazolo[3,4-a]quinazolin-5-one Formula: C17H17N3O2S2 MolecularWeight: 359.46578

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=C3NC(=O)C4=CC=CC=C4N3C(=S)S2

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=C3NC(=O)C4=CC=CC=C4N3C(=S)S2

InChI

InChI=1S/C17H17N3O2S2/c21-15-11-7-3-4-8-12(11)20-14(18-15)13(24-17(20)23)16(22)19-9-5-1-2-6-10-19/h3-4,7-8H,1-2,5-6,9-10H2,(H,18,21)