1-(propan-2-ylamino)-3-(2,3,4,5-tetrahydro-1-benzothiepin-7-yloxy)propan-2-ol hydrochloride

Systemtic Name: 1-(propan-2-ylamino)-3-(2,3,4,5-tetrahydro-1-benzothiepin-7-yloxy)propan-2-ol hydrochloride Openeye Name: 1-(isopropylamino)-3-(2,3,4,5-tetrahydro-1-benzothiepin-7-yloxy)propan-2-ol hydrochloride CAS Name: 1-(propan-2-ylamino)-3-(2,3,4,5-tetrahydro-1-benzothiepin-7-yloxy)-2-propanol hydrochloride IUPAC Name: 1-(propan-2-ylamino)-3-(2,3,4,5-tetrahydro-1-benzothiepin-7-yloxy)propan-2-ol hydrochloride Traditional Name: 1-(isopropylamino)-3-(2,3,4,5-tetrahydro-1-benzothiepin-7-yloxy)propan-2-ol hydrochloride Formula: C16H26ClNO2S MolecularWeight: 331.90114

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC2=C(C=C1)SCCCC2)O.Cl

Isomeric SMILES

CC(C)NCC(COC1=CC2=C(C=C1)SCCCC2)O.Cl

InChI

InChI=1S/C16H25NO2S.ClH/c1-12(2)17-10-14(18)11-19-15-6-7-16-13(9-15)5-3-4-8-20-16;/h6-7,9,12,14,17-18H,3-5,8,10-11H2,1-2H3;1H