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

Systemtic Name: (1S)-N-cyclohexyl-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Openeye Name: (1S)-N-cyclohexyl-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide CAS Name: (1S)-N-cyclohexyl-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide IUPAC Name: (1S)-N-cyclohexyl-6,7-dimethoxy-1-thiophen-2-yl-3,4-dihydro-1H-isoquinoline-2-carbothioamide Traditional Name: (1S)-N-cyclohexyl-6,7-dimethoxy-1-(2-thienyl)-3,4-dihydro-1H-isoquinoline-2-carbothioamide Formula: C22H28N2O2S2 MolecularWeight: 416.59992

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=S)NC3CCCCC3)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C2[C@H](N(CCC2=C1)C(=S)NC3CCCCC3)C4=CC=CS4)OC

InChI

InChI=1S/C22H28N2O2S2/c1-25-18-13-15-10-11-24(22(27)23-16-7-4-3-5-8-16)21(20-9-6-12-28-20)17(15)14-19(18)26-2/h6,9,12-14,16,21H,3-5,7-8,10-11H2,1-2H3,(H,23,27)/t21-/m0/s1