methyl 2-[1-(1-adamantyl)propylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[1-(1-adamantyl)propylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[1-(1-adamantyl)propylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(1-adamantyl)propylamino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(1-adamantyl)propylcarbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[1-(1-adamantyl)propylthiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H30N2O2S2 MolecularWeight: 406.6051

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O2S2/c1-4-17(21-9-13-6-14(10-21)8-15(7-13)11-21)22-20(26)23-18-16(19(24)25-3)5-12(2)27-18/h5,13-15,17H,4,6-11H2,1-3H3,(H2,22,23,26)