(2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(thiophen-3-ylmethylamino)butan-1-one

Systemtic Name: (2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(thiophen-3-ylmethylamino)butan-1-one Openeye Name: (2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(3-thienylmethylamino)butan-1-one CAS Name: (2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(3-thiophenylmethylamino)-1-butanone IUPAC Name: (2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(thiophen-3-ylmethylamino)butan-1-one Traditional Name: (2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(3-thenylamino)butan-1-one Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NCC3=CSC=C3

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N1CCC2=CC(=C(C=C2C1)OC)OC)NCC3=CSC=C3

InChI

InChI=1S/C22H30N2O3S/c1-22(2,3)20(23-12-15-7-9-28-14-15)21(25)24-8-6-16-10-18(26-4)19(27-5)11-17(16)13-24/h7,9-11,14,20,23H,6,8,12-13H2,1-5H3/t20-/m1/s1