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

Systemtic Name: methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[sulfanylidene-[(1,3,5-trimethyl-4-pyrazolyl)methylamino]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1,3,5-trimethylpyrazol-4-yl)methylcarbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1,3,5-trimethylpyrazol-4-yl)methylthiocarbamoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C18H24N4O2S2 MolecularWeight: 392.53876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)CNC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C)C)CNC(=S)NC2=C(C3=C(S2)CCCC3)C(=O)OC

InChI

InChI=1S/C18H24N4O2S2/c1-10-13(11(2)22(3)21-10)9-19-18(25)20-16-15(17(23)24-4)12-7-5-6-8-14(12)26-16/h5-9H2,1-4H3,(H2,19,20,25)