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

Systemtic Name: methyl 2-[1-(1-adamantyl)butylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[1-(1-adamantyl)butylcarbamothioylamino]-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[1-(1-adamantyl)butylamino]-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[1-(1-adamantyl)butylcarbamothioylamino]-5-methylthiophene-3-carboxylate Traditional Name: 2-[1-(1-adamantyl)butylthiocarbamoylamino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H32N2O2S2 MolecularWeight: 420.63168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O2S2/c1-4-5-18(22-10-14-7-15(11-22)9-16(8-14)12-22)23-21(27)24-19-17(20(25)26-3)6-13(2)28-19/h6,14-16,18H,4-5,7-12H2,1-3H3,(H2,23,24,27)