5-(1H-imidazol-2-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine

Systemtic Name: 5-(1H-imidazol-2-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Openeye Name: 5-(1H-imidazol-2-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine CAS Name: 5-(1H-imidazol-2-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine IUPAC Name: 5-(1H-imidazol-2-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Traditional Name: 5-(1H-imidazol-2-ylmethyl)-2-(3-methoxyphenyl)-3,4-dihydro-2H-1,5-benzothiazepine Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CCN(C3=CC=CC=C3S2)CC4=NC=CN4

Isomeric SMILES

COC1=CC=CC(=C1)C2CCN(C3=CC=CC=C3S2)CC4=NC=CN4

InChI

InChI=1S/C20H21N3OS/c1-24-16-6-4-5-15(13-16)18-9-12-23(14-20-21-10-11-22-20)17-7-2-3-8-19(17)25-18/h2-8,10-11,13,18H,9,12,14H2,1H3,(H,21,22)