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

Systemtic Name: ethyl 2-[(3-aminocarbonyl-1-methyl-pyrazol-4-yl)carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[(3-carbamoyl-1-methyl-pyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[(3-carbamoyl-1-methyl-4-pyrazolyl)amino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[(3-carbamoyl-1-methylpyrazol-4-yl)carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[(3-carbamoyl-1-methyl-pyrazol-4-yl)thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C20H21N5O3S2 MolecularWeight: 443.54244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CN(N=C3C(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NC3=CN(N=C3C(=O)N)C

InChI

InChI=1S/C20H21N5O3S2/c1-3-28-19(27)14-10-13(9-12-7-5-4-6-8-12)30-18(14)23-20(29)22-15-11-25(2)24-16(15)17(21)26/h4-8,10-11H,3,9H2,1-2H3,(H2,21,26)(H2,22,23,29)