N,N-diethylethanamine; (1S)-N-(4-fluorophenyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N,N-diethylethanamine; (1S)-N-(4-fluorophenyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N,N-diethylethanamine; (1S)-N-(4-fluorophenyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N,N-diethylethanamine; (1S)-N-(4-fluorophenyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N,N-diethylethanamine; (1S)-N-(4-fluorophenyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (1S)-N-(4-fluorophenyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide; triethylamine Formula: C25H36FN3O2S MolecularWeight: 461.635643

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC.CC1C2=CC(=C(C=C2CCN1C(=S)NC3=CC=C(C=C3)F)OC)OC

Isomeric SMILES

CCN(CC)CC.C[C@H]1C2=CC(=C(C=C2CCN1C(=S)NC3=CC=C(C=C3)F)OC)OC

InChI

InChI=1S/C19H21FN2O2S.C6H15N/c1-12-16-11-18(24-3)17(23-2)10-13(16)8-9-22(12)19(25)21-15-6-4-14(20)5-7-15;1-4-7(5-2)6-3/h4-7,10-12H,8-9H2,1-3H3,(H,21,25);4-6H2,1-3H3/t12-;/m0./s1