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

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-1-amine Openeye Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-1-amine CAS Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-propanamine IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propan-1-amine Traditional Name: 3-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)propyl-homoveratryl-amine Formula: C22H30N2O2S MolecularWeight: 386.5508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCCCN2CCCSC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCCCN2CCCSC3=CC=CC=C32)OC

InChI

InChI=1S/C22H30N2O2S/c1-25-20-10-9-18(17-21(20)26-2)11-13-23-12-5-14-24-15-6-16-27-22-8-4-3-7-19(22)24/h3-4,7-10,17,23H,5-6,11-16H2,1-2H3