methyl 2-[(4-tert-butylcyclohexyl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(4-tert-butylcyclohexyl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(4-tert-butylcyclohexyl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(4-tert-butylcyclohexyl)amino]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-tert-butylcyclohexyl)carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[(4-tert-butylcyclohexyl)thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H33N3O3S2 MolecularWeight: 439.63502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2CCC(CC2)C(C)(C)C)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2CCC(CC2)C(C)(C)C)C(=O)N(C)C

InChI

InChI=1S/C21H33N3O3S2/c1-12-15(19(26)27-7)17(29-16(12)18(25)24(5)6)23-20(28)22-14-10-8-13(9-11-14)21(2,3)4/h13-14H,8-11H2,1-7H3,(H2,22,23,28)