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

Systemtic Name: ethyl 2-[(1,5-dimethylpyrazol-3-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[(1,5-dimethylpyrazol-3-yl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(1,5-dimethyl-3-pyrazolyl)amino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1,5-dimethylpyrazol-3-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1,5-dimethylpyrazol-3-yl)thiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C17H22N4O2S2 MolecularWeight: 378.51218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=NN(C(=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=S)NC3=NN(C(=C3)C)C

InChI

InChI=1S/C17H22N4O2S2/c1-4-23-16(22)14-11-7-5-6-8-12(11)25-15(14)19-17(24)18-13-9-10(2)21(3)20-13/h9H,4-8H2,1-3H3,(H2,18,19,20,24)