2-[(3-fluoranyl-4-methyl-phenyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone

Systemtic Name: 2-[(3-fluoranyl-4-methyl-phenyl)amino]-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Openeye Name: 2-(3-fluoro-4-methyl-anilino)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone CAS Name: 2-(3-fluoro-4-methylanilino)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone IUPAC Name: 2-(3-fluoro-4-methylanilino)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Traditional Name: 2-(3-fluoro-4-methyl-anilino)-1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)ethanone Formula: C19H21FN2OS MolecularWeight: 344.446243

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)CNC3=CC(=C(C=C3)C)F

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)CNC3=CC(=C(C=C3)C)F

InChI

InChI=1S/C19H21FN2OS/c1-13-7-8-15(11-16(13)20)21-12-19(23)22-10-9-14(2)24-18-6-4-3-5-17(18)22/h3-8,11,14,21H,9-10,12H2,1-2H3