1-(8-azanyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-1-one

Systemtic Name: 1-(8-azanyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-1-one Openeye Name: 1-(8-amino-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-1-one CAS Name: 1-(8-amino-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]-1-propanone IUPAC Name: 1-(8-amino-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propan-1-one Traditional Name: 1-(8-amino-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-(homoveratrylamino)propan-1-one Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCCC(=O)N2CCCSC3=C2C=CC(=C3)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCCC(=O)N2CCCSC3=C2C=CC(=C3)N)OC

InChI

InChI=1S/C22H29N3O3S/c1-27-19-7-4-16(14-20(19)28-2)8-10-24-11-9-22(26)25-12-3-13-29-21-15-17(23)5-6-18(21)25/h4-7,14-15,24H,3,8-13,23H2,1-2H3