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

Systemtic Name: 1-(propan-2-ylamino)-3-(2,3,4,5-tetrahydro-1-benzothiepin-7-yloxy)propan-2-ol Openeye Name: 1-(isopropylamino)-3-(2,3,4,5-tetrahydro-1-benzothiepin-7-yloxy)propan-2-ol CAS Name: 1-(propan-2-ylamino)-3-(2,3,4,5-tetrahydro-1-benzothiepin-7-yloxy)-2-propanol IUPAC Name: 1-(propan-2-ylamino)-3-(2,3,4,5-tetrahydro-1-benzothiepin-7-yloxy)propan-2-ol Traditional Name: 1-(isopropylamino)-3-(2,3,4,5-tetrahydro-1-benzothiepin-7-yloxy)propan-2-ol Formula: C16H25NO2S MolecularWeight: 295.4402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25NO2S/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