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

Systemtic Name: (1S)-N-cyclopropyl-1-(2-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (1S)-N-cyclopropyl-1-(2-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (1S)-N-cyclopropyl-1-(2-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (1S)-N-cyclopropyl-1-(2-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (1S)-N-cyclopropyl-1-(2-fluorophenyl)-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C21H23FN2O2S MolecularWeight: 386.482923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3CC3)C4=CC=CC=C4F)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=S)NC3CC3)C4=CC=CC=C4F)OC

InChI

InChI=1S/C21H23FN2O2S/c1-25-18-11-13-9-10-24(21(27)23-14-7-8-14)20(16(13)12-19(18)26-2)15-5-3-4-6-17(15)22/h3-6,11-12,14,20H,7-10H2,1-2H3,(H,23,27)/t20-/m1/s1