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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl-propan-2-yl-amino]propan-1-one Openeye Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl-isopropyl-amino]propan-1-one CAS Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl-propan-2-ylamino]-1-propanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3,4-dimethoxyphenyl)ethyl-propan-2-ylamino]propan-1-one Traditional Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[homoveratryl(isopropyl)amino]propan-1-one Formula: C25H34N2O3S MolecularWeight: 442.61406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCC1=CC(=C(C=C1)OC)OC)CCC(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

CC(C)N(CCC1=CC(=C(C=C1)OC)OC)CCC(=O)N2CCCSC3=CC=CC=C32

InChI

InChI=1S/C25H34N2O3S/c1-19(2)26(15-12-20-10-11-22(29-3)23(18-20)30-4)16-13-25(28)27-14-7-17-31-24-9-6-5-8-21(24)27/h5-6,8-11,18-19H,7,12-17H2,1-4H3