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

Systemtic Name: methyl 2-[[1-(1-adamantyl)pyrazol-3-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[1-(1-adamantyl)pyrazol-3-yl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[[1-(1-adamantyl)-3-pyrazolyl]amino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[1-(1-adamantyl)pyrazol-3-yl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[1-(1-adamantyl)pyrazol-3-yl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C27H30N4O2S2 MolecularWeight: 506.6827

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)C(=O)OC)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=NN(C=C2)C34CC5CC(C3)CC(C5)C4)C(=O)OC)C6=CC=CC=C6

InChI

InChI=1S/C27H30N4O2S2/c1-16-22(20-6-4-3-5-7-20)23(25(32)33-2)24(35-16)29-26(34)28-21-8-9-31(30-21)27-13-17-10-18(14-27)12-19(11-17)15-27/h3-9,17-19H,10-15H2,1-2H3,(H2,28,29,30,34)