methyl 3-[[3a-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]carbamothioylamino]thiophene-2-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: methyl 3-[[3a-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]carbamothioylamino]thiophene-2-carboxylate; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: methyl 3-[[1-benzyl-3a-(3,4-dimethoxyphenyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]carbamothioylamino]thiophene-2-carboxylate; 2,2,2-trifluoroacetic acid CAS Name: 3-[[[[3a-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]amino]-sulfanylidenemethyl]amino]-2-thiophenecarboxylic acid methyl ester; 2,2,2-trifluoroacetic acid IUPAC Name: methyl 3-[[1-benzyl-3a-(3,4-dimethoxyphenyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]carbamothioylamino]thiophene-2-carboxylate; 2,2,2-trifluoroacetic acid Traditional Name: 3-[[1-benzyl-3a-(3,4-dimethoxyphenyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]thiocarbamoylamino]thiophene-2-carboxylic acid methyl ester; 2,2,2-trifluoroacetic acid Formula: C32H36F3N3O6S2 MolecularWeight: 679.76995

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C23CCC(CC2N(CC3)CC4=CC=CC=C4)NC(=S)NC5=C(SC=C5)C(=O)OC)OC.C(=O)(C(F)(F)F)O

Isomeric SMILES

COC1=C(C=C(C=C1)C23CCC(CC2N(CC3)CC4=CC=CC=C4)NC(=S)NC5=C(SC=C5)C(=O)OC)OC.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C30H35N3O4S2.C2HF3O2/c1-35-24-10-9-21(17-25(24)36-2)30-13-11-22(31-29(38)32-23-12-16-39-27(23)28(34)37-3)18-26(30)33(15-14-30)19-20-7-5-4-6-8-20;3-2(4,5)1(6)7/h4-10,12,16-17,22,26H,11,13-15,18-19H2,1-3H3,(H2,31,32,38);(H,6,7)