(3S,3aR)-N-cyclohexyl-3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide

Systemtic Name: (3S,3aR)-N-cyclohexyl-3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide Openeye Name: (3S,3aR)-N-cyclohexyl-3-(2-thienyl)-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide CAS Name: (3S,3aR)-N-cyclohexyl-3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide IUPAC Name: (3S,3aR)-N-cyclohexyl-3-thiophen-2-yl-3,3a,4,5-tetrahydrobenzo[g]indazole-2-carbothioamide Traditional Name: (3S,3aR)-N-cyclohexyl-3-(2-thienyl)-3,3a,4,5-tetrahydrobenz[g]indazole-2-carbothioamide Formula: C22H25N3S2 MolecularWeight: 395.584

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=S)N2C(C3CCC4=CC=CC=C4C3=N2)C5=CC=CS5

Isomeric SMILES

C1CCC(CC1)NC(=S)N2[C@@H]([C@H]3CCC4=CC=CC=C4C3=N2)C5=CC=CS5

InChI

InChI=1S/C22H25N3S2/c26-22(23-16-8-2-1-3-9-16)25-21(19-11-6-14-27-19)18-13-12-15-7-4-5-10-17(15)20(18)24-25/h4-7,10-11,14,16,18,21H,1-3,8-9,12-13H2,(H,23,26)/t18-,21-/m0/s1