methyl 2-[[1-(1-adamantyl)pyrazol-3-yl]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-(1-adamantyl)pyrazol-3-yl]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-(1-adamantyl)pyrazol-3-yl]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-(1-adamantyl)-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-[dimethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(1-adamantyl)pyrazol-3-yl]carbamothioylamino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-[[1-(1-adamantyl)pyrazol-3-yl]thiocarbamoylamino]-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C24H31N5O3S2 MolecularWeight: 501.66464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)C(=O)N(C)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)C(=O)N(C)C

InChI

InChI=1S/C24H31N5O3S2/c1-13-18(22(31)32-4)20(34-19(13)21(30)28(2)3)26-23(33)25-17-5-6-29(27-17)24-10-14-7-15(11-24)9-16(8-14)12-24/h5-6,14-16H,7-12H2,1-4H3,(H2,25,26,27,33)