(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-[4-(phenylmethyl)piperidin-1-yl]methanone

Systemtic Name: (7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-[4-(phenylmethyl)piperidin-1-yl]methanone Openeye Name: (4-benzyl-1-piperidyl)-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)methanone CAS Name: (7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-[4-(phenylmethyl)-1-piperidinyl]methanone IUPAC Name: (4-benzylpiperidin-1-yl)-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)methanone Traditional Name: (4-benzylpiperidino)-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)methanone Formula: C23H28N2O2S MolecularWeight: 396.54562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SCCN(C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)SCCN(C2)C(=O)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H28N2O2S/c1-27-21-7-8-22-20(16-21)17-25(13-14-28-22)23(26)24-11-9-19(10-12-24)15-18-5-3-2-4-6-18/h2-8,16,19H,9-15,17H2,1H3