(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[1-(4-methylphenyl)carbonylpiperidin-3-yl]methanone

Systemtic Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[1-(4-methylphenyl)carbonylpiperidin-3-yl]methanone Openeye Name: [1-(4-methylbenzoyl)-3-piperidyl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone CAS Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-[1-[(4-methylphenyl)-oxomethyl]-3-piperidinyl]methanone IUPAC Name: [1-(4-methylbenzoyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)methanone Traditional Name: (2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-(1-p-toluoyl-3-piperidyl)methanone Formula: C24H28N2O2S MolecularWeight: 408.55632

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C2=CC=CC=C2S1)C(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CC1CCN(C2=CC=CC=C2S1)C(=O)C3CCCN(C3)C(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H28N2O2S/c1-17-9-11-19(12-10-17)23(27)25-14-5-6-20(16-25)24(28)26-15-13-18(2)29-22-8-4-3-7-21(22)26/h3-4,7-12,18,20H,5-6,13-16H2,1-2H3