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

Systemtic Name: 1-[3a-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-pyridin-3-yl-thiourea; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 1-[1-benzyl-3a-(3,4-dimethoxyphenyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-(3-pyridyl)thiourea; 2,2,2-trifluoroacetic acid CAS Name: 1-[3a-(3,4-dimethoxyphenyl)-1-(phenylmethyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-(3-pyridinyl)thiourea; 2,2,2-trifluoroacetic acid IUPAC Name: 1-[1-benzyl-3a-(3,4-dimethoxyphenyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-pyridin-3-ylthiourea; 2,2,2-trifluoroacetic acid Traditional Name: 1-[1-benzyl-3a-(3,4-dimethoxyphenyl)-3,4,5,6,7,7a-hexahydro-2H-indol-6-yl]-3-(3-pyridyl)thiourea; 2,2,2-trifluoroacetic acid Formula: C31H35F3N4O4S MolecularWeight: 616.69421

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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=CN=CC=C5)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=CN=CC=C5)OC.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C29H34N4O2S.C2HF3O2/c1-34-25-11-10-22(17-26(25)35-2)29-13-12-23(31-28(36)32-24-9-6-15-30-19-24)18-27(29)33(16-14-29)20-21-7-4-3-5-8-21;3-2(4,5)1(6)7/h3-11,15,17,19,23,27H,12-14,16,18,20H2,1-2H3,(H2,31,32,36);(H,6,7)