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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)ethanamide Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-[2-(1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-N-(2-pyrrolidin-1-ylphenyl)acetamide Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-N-(2-pyrrolidinophenyl)acetamide Formula: C21H24N2O3S MolecularWeight: 384.49186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC=CC=C2NC(=O)CSC3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CCN(C1)C2=CC=CC=C2NC(=O)CSC3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C21H24N2O3S/c24-21(22-17-6-1-2-7-18(17)23-10-3-4-11-23)15-27-16-8-9-19-20(14-16)26-13-5-12-25-19/h1-2,6-9,14H,3-5,10-13,15H2,(H,22,24)