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

Systemtic Name: methyl 2-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[1-(1,3-dimethyl-4-pyrazolyl)ethylamino]-sulfanylidenemethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[1-(1,3-dimethylpyrazol-4-yl)ethylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[1-(1,3-dimethylpyrazol-4-yl)ethylthiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H24N4O2S2 MolecularWeight: 392.53876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1C(C)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C

Isomeric SMILES

CC1=NN(C=C1C(C)NC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC)C

InChI

InChI=1S/C18H24N4O2S2/c1-10(13-9-22(3)21-11(13)2)19-18(25)20-16-15(17(23)24-4)12-7-5-6-8-14(12)26-16/h9-10H,5-8H2,1-4H3,(H2,19,20,25)