6-chloranyl-N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide

Systemtic Name: 6-chloranyl-N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Openeye Name: 6-chloro-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide CAS Name: 6-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide IUPAC Name: 6-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide Traditional Name: 6-chloro-N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-8-carboxamide Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1=CC2=C(C(=C1)Cl)OCCCO2)C3=CC=CS3

Isomeric SMILES

CN(C)C(CNC(=O)C1=CC2=C(C(=C1)Cl)OCCCO2)C3=CC=CS3

InChI

InChI=1S/C18H21ClN2O3S/c1-21(2)14(16-5-3-8-25-16)11-20-18(22)12-9-13(19)17-15(10-12)23-6-4-7-24-17/h3,5,8-10,14H,4,6-7,11H2,1-2H3,(H,20,22)