N-(azepan-1-ylcarbothioyl)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide

Systemtic Name: N-(azepan-1-ylcarbothioyl)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanamide Openeye Name: N-(azepane-1-carbothioyl)-2-(1,3-dioxoisoindolin-2-yl)acetamide CAS Name: N-[1-azepanyl(sulfanylidene)methyl]-2-(1,3-dioxo-2-isoindolyl)acetamide IUPAC Name: N-(azepane-1-carbothioyl)-2-(1,3-dioxoisoindol-2-yl)acetamide Traditional Name: N-(azepane-1-carbothioyl)-2-phthalimido-acetamide Formula: C17H19N3O3S MolecularWeight: 345.41606

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CCCN(CC1)C(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C17H19N3O3S/c21-14(18-17(24)19-9-5-1-2-6-10-19)11-20-15(22)12-7-3-4-8-13(12)16(20)23/h3-4,7-8H,1-2,5-6,9-11H2,(H,18,21,24)