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

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(4-methylphenyl)ethylamino]propan-1-one Openeye Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(p-tolyl)ethylamino]propan-1-one CAS Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(4-methylphenyl)ethylamino]-1-propanone IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(4-methylphenyl)ethylamino]propan-1-one Traditional Name: 1-(3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-3-[2-(p-tolyl)ethylamino]propan-1-one Formula: C21H26N2OS MolecularWeight: 354.50894

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CCNCCC(=O)N2CCCSC3=CC=CC=C32

Isomeric SMILES

CC1=CC=C(C=C1)CCNCCC(=O)N2CCCSC3=CC=CC=C32

InChI

InChI=1S/C21H26N2OS/c1-17-7-9-18(10-8-17)11-13-22-14-12-21(24)23-15-4-16-25-20-6-3-2-5-19(20)23/h2-3,5-10,22H,4,11-16H2,1H3