methyl 2-(2-adamantylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(2-adamantylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(2-adamantylcarbamothioylamino)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(2-adamantylamino)-sulfanylidenemethyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(2-adamantylcarbamothioylamino)-5-methylthiophene-3-carboxylate Traditional Name: 2-(2-adamantylthiocarbamoylamino)-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H24N2O2S2 MolecularWeight: 364.52536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)NC(=S)NC2C3CC4CC(C3)CC2C4)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)NC(=S)NC2C3CC4CC(C3)CC2C4)C(=O)OC

InChI

InChI=1S/C18H24N2O2S2/c1-9-3-14(17(21)22-2)16(24-9)20-18(23)19-15-12-5-10-4-11(7-12)8-13(15)6-10/h3,10-13,15H,4-8H2,1-2H3,(H2,19,20,23)