N-(2-fluorophenyl)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide

Systemtic Name: N-(2-fluorophenyl)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: N-(2-fluorophenyl)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: N-(2-fluorophenyl)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: N-(2-fluorophenyl)-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: N-(2-fluorophenyl)-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C22H21FN2O2S2 MolecularWeight: 428.542743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3=CC=CC=C3F)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3=CC=CC=C3F)C4=CC=CS4)OC

InChI

InChI=1S/C22H21FN2O2S2/c1-26-18-12-14-9-10-25(22(28)24-17-7-4-3-6-16(17)23)21(20-8-5-11-29-20)15(14)13-19(18)27-2/h3-8,11-13,21H,9-10H2,1-2H3,(H,24,28)