2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-(1,3-benzothiazol-2-ylthio)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C18H16N2O3S2 MolecularWeight: 372.46124

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4S3)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CSC3=NC4=CC=CC=C4S3)OC1

InChI

InChI=1S/C18H16N2O3S2/c21-17(11-24-18-20-13-4-1-2-5-16(13)25-18)19-12-6-7-14-15(10-12)23-9-3-8-22-14/h1-2,4-7,10H,3,8-9,11H2,(H,19,21)