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

Systemtic Name: methyl 2-[1-(1-adamantyl)propylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[1-(1-adamantyl)propylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(1-adamantyl)propylamino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[1-(1-adamantyl)propylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[1-(1-adamantyl)propylthiocarbamoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C25H36N2O2S2 MolecularWeight: 460.69554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O2S2/c1-4-20(25-11-15-8-16(12-25)10-17(9-15)13-25)26-24(30)27-22-21(23(28)29-3)18-6-5-14(2)7-19(18)31-22/h14-17,20H,4-13H2,1-3H3,(H2,26,27,30)