2-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)ethanamide

Systemtic Name: 2-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)ethanamide Openeye Name: 2-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)thiazol-2-yl]-N-(p-tolyl)acetamide CAS Name: 2-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-2-thiazolyl]-N-(4-methylphenyl)acetamide IUPAC Name: 2-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide Traditional Name: 2-[4-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)thiazol-2-yl]-N-(p-tolyl)acetamide Formula: C22H23N3OS2 MolecularWeight: 409.56752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)CN3CCCSC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CC2=NC(=CS2)CN3CCCSC4=CC=CC=C43

InChI

InChI=1S/C22H23N3OS2/c1-16-7-9-17(10-8-16)23-21(26)13-22-24-18(15-28-22)14-25-11-4-12-27-20-6-3-2-5-19(20)25/h2-3,5-10,15H,4,11-14H2,1H3,(H,23,26)