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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(=N1)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC

Isomeric SMILES

CCN1C=CC(=N1)NC(=S)NC2=C(C3=C(S2)CC(CC3)C)C(=O)OC

InChI

InChI=1S/C17H22N4O2S2/c1-4-21-8-7-13(20-21)18-17(24)19-15-14(16(22)23-3)11-6-5-10(2)9-12(11)25-15/h7-8,10H,4-6,9H2,1-3H3,(H2,18,19,20,24)