methyl 2-[1-(1-adamantyl)butylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(1-adamantyl)butylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[1-(1-adamantyl)butylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(1-adamantyl)butylamino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[1-(1-adamantyl)butylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[1-(1-adamantyl)butylthiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C26H38N2O2S2 MolecularWeight: 474.72212

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C5=C(S4)CC(CC5)C)C(=O)OC

Isomeric SMILES

CCCC(C12CC3CC(C1)CC(C3)C2)NC(=S)NC4=C(C5=C(S4)CC(CC5)C)C(=O)OC

InChI

InChI=1S/C26H38N2O2S2/c1-4-5-21(26-12-16-9-17(13-26)11-18(10-16)14-26)27-25(31)28-23-22(24(29)30-3)19-7-6-15(2)8-20(19)32-23/h15-18,21H,4-14H2,1-3H3,(H2,27,28,31)