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

Systemtic Name: 1-[7-methoxy-2-(4-methoxyphenyl)-4-piperidin-1-yl-3,5-dihydro-2H-1,4-benzothiazepin-3-yl]propan-1-one Openeye Name: 1-[7-methoxy-2-(4-methoxyphenyl)-4-(1-piperidyl)-3,5-dihydro-2H-1,4-benzothiazepin-3-yl]propan-1-one CAS Name: 1-[7-methoxy-2-(4-methoxyphenyl)-4-(1-piperidinyl)-3,5-dihydro-2H-1,4-benzothiazepin-3-yl]-1-propanone IUPAC Name: 1-[7-methoxy-2-(4-methoxyphenyl)-4-piperidin-1-yl-3,5-dihydro-2H-1,4-benzothiazepin-3-yl]propan-1-one Traditional Name: 1-[7-methoxy-2-(4-methoxyphenyl)-4-piperidino-3,5-dihydro-2H-1,4-benzothiazepin-3-yl]propan-1-one Formula: C25H32N2O3S MolecularWeight: 440.59818

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1C(SC2=C(CN1N3CCCCC3)C=C(C=C2)OC)C4=CC=C(C=C4)OC

Isomeric SMILES

CCC(=O)C1C(SC2=C(CN1N3CCCCC3)C=C(C=C2)OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H32N2O3S/c1-4-22(28)24-25(18-8-10-20(29-2)11-9-18)31-23-13-12-21(30-3)16-19(23)17-27(24)26-14-6-5-7-15-26/h8-13,16,24-25H,4-7,14-15,17H2,1-3H3