1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-3-[4-(phenylmethyl)cyclohexyl]propan-1-one

Systemtic Name: 1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-3-[4-(phenylmethyl)cyclohexyl]propan-1-one Openeye Name: 3-(4-benzylcyclohexyl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one CAS Name: 1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)-3-[4-(phenylmethyl)cyclohexyl]-1-propanone IUPAC Name: 3-(4-benzylcyclohexyl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one Traditional Name: 3-(4-benzylcyclohexyl)-1-(7-methoxy-3,5-dihydro-2H-1,4-benzothiazepin-4-yl)propan-1-one Formula: C26H33NO2S MolecularWeight: 423.61072

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)SCCN(C2)C(=O)CCC3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)SCCN(C2)C(=O)CCC3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H33NO2S/c1-29-24-12-13-25-23(18-24)19-27(15-16-30-25)26(28)14-11-20-7-9-22(10-8-20)17-21-5-3-2-4-6-21/h2-6,12-13,18,20,22H,7-11,14-17,19H2,1H3