3-[4-(dimethylaminomethyl)-2,3-dihydro-1-benzothiepin-5-yl]phenol

Systemtic Name: 3-[4-(dimethylaminomethyl)-2,3-dihydro-1-benzothiepin-5-yl]phenol Openeye Name: 3-[4-(dimethylaminomethyl)-2,3-dihydro-1-benzothiepin-5-yl]phenol CAS Name: 3-[4-(dimethylaminomethyl)-2,3-dihydro-1-benzothiepin-5-yl]phenol IUPAC Name: 3-[4-(dimethylaminomethyl)-2,3-dihydro-1-benzothiepin-5-yl]phenol Traditional Name: 3-[4-(dimethylaminomethyl)-2,3-dihydro-1-benzothiepin-5-yl]phenol Formula: C19H21NOS MolecularWeight: 311.44114

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=C(C2=CC=CC=C2SCC1)C3=CC(=CC=C3)O

Isomeric SMILES

CN(C)CC1=C(C2=CC=CC=C2SCC1)C3=CC(=CC=C3)O

InChI

InChI=1S/C19H21NOS/c1-20(2)13-15-10-11-22-18-9-4-3-8-17(18)19(15)14-6-5-7-16(21)12-14/h3-9,12,21H,10-11,13H2,1-2H3