N-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl]-2-(3,4-dimethoxyphenyl)ethanamine

Systemtic Name: N-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl]-2-(3,4-dimethoxyphenyl)ethanamine Openeye Name: N-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl]-2-(3,4-dimethoxyphenyl)ethanamine CAS Name: N-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl]-2-(3,4-dimethoxyphenyl)ethanamine IUPAC Name: N-[2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl]-2-(3,4-dimethoxyphenyl)ethanamine Traditional Name: 2-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethyl-homoveratryl-amine Formula: C21H28N2O2S MolecularWeight: 372.52422

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCCN2CCCSC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCCN2CCCSC3=CC=CC=C32)OC

InChI

InChI=1S/C21H28N2O2S/c1-24-19-9-8-17(16-20(19)25-2)10-11-22-12-14-23-13-5-15-26-21-7-4-3-6-18(21)23/h3-4,6-9,16,22H,5,10-15H2,1-2H3