2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide

Systemtic Name: 2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanamide Openeye Name: 2-[bis(2-thienylmethyl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide CAS Name: 2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide IUPAC Name: 2-[bis(thiophen-2-ylmethyl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Traditional Name: 2-[bis(2-thenyl)amino]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide Formula: C21H22N2O3S2 MolecularWeight: 414.54098

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)NC(=O)CN(CC3=CC=CS3)CC4=CC=CS4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)NC(=O)CN(CC3=CC=CS3)CC4=CC=CS4)OC1

InChI

InChI=1S/C21H22N2O3S2/c24-21(22-16-6-7-19-20(12-16)26-9-3-8-25-19)15-23(13-17-4-1-10-27-17)14-18-5-2-11-28-18/h1-2,4-7,10-12H,3,8-9,13-15H2,(H,22,24)