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

Systemtic Name: methyl 2-[(3-aminocarbonyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3-carbamoyl-1-ethyl-pyrazol-4-yl)carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[[(3-carbamoyl-1-ethyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3-carbamoyl-1-ethylpyrazol-4-yl)carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[(3-carbamoyl-1-ethyl-pyrazol-4-yl)thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H21N5O3S2 MolecularWeight: 395.49964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CN(N=C2C(=O)N)CC)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CN(N=C2C(=O)N)CC)C

InChI

InChI=1S/C16H21N5O3S2/c1-5-9-8(3)26-14(11(9)15(23)24-4)19-16(25)18-10-7-21(6-2)20-12(10)13(17)22/h7H,5-6H2,1-4H3,(H2,17,22)(H2,18,19,25)