methyl 2-[[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[[1-ethyl-3-[(2-methoxyethylamino)-oxomethyl]-4-pyrazolyl]amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[1-ethyl-3-(2-methoxyethylcarbamoyl)pyrazol-4-yl]thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C20H27N5O4S2 MolecularWeight: 465.58948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C(=O)NCCOC)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

CCN1C=C(C(=N1)C(=O)NCCOC)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C20H27N5O4S2/c1-4-25-11-13(16(24-25)17(26)21-9-10-28-2)22-20(30)23-18-15(19(27)29-3)12-7-5-6-8-14(12)31-18/h11H,4-10H2,1-3H3,(H,21,26)(H2,22,23,30)