4-(dimethylaminomethyl)-5-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzothiepin-5-ol

Systemtic Name: 4-(dimethylaminomethyl)-5-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzothiepin-5-ol Openeye Name: 4-(dimethylaminomethyl)-5-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzothiepin-5-ol CAS Name: 4-(dimethylaminomethyl)-5-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzothiepin-5-ol IUPAC Name: 4-(dimethylaminomethyl)-5-[(3-methoxyphenyl)methyl]-3,4-dihydro-2H-1-benzothiepin-5-ol Traditional Name: 4-(dimethylaminomethyl)-5-m-anisyl-3,4-dihydro-2H-1-benzothiepin-5-ol Formula: C21H27NO2S MolecularWeight: 357.50958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1CCSC2=CC=CC=C2C1(CC3=CC(=CC=C3)OC)O

Isomeric SMILES

CN(C)CC1CCSC2=CC=CC=C2C1(CC3=CC(=CC=C3)OC)O

InChI

InChI=1S/C21H27NO2S/c1-22(2)15-17-11-12-25-20-10-5-4-9-19(20)21(17,23)14-16-7-6-8-18(13-16)24-3/h4-10,13,17,23H,11-12,14-15H2,1-3H3