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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3-methylphenoxy)ethylamino]propan-1-one Openeye Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3-methylphenoxy)ethylamino]propan-1-one CAS Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3-methylphenoxy)ethylamino]-1-propanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3-methylphenoxy)ethylamino]propan-1-one Traditional Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(3-methylphenoxy)ethylamino]propan-1-one Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCNCCC(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

CC1=CC(=CC=C1)OCCNCCC(=O)N2CCCSC3=CC=CC=C32

InChI

InChI=1S/C21H26N2O2S/c1-17-6-4-7-18(16-17)25-14-12-22-11-10-21(24)23-13-5-15-26-20-9-3-2-8-19(20)23/h2-4,6-9,16,22H,5,10-15H2,1H3