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

Systemtic Name: methyl 6-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 6-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-methyl-2-[[sulfanylidene-[(1,3,5-trimethyl-4-pyrazolyl)amino]methyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)carbamothioylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)thiocarbamoylamino]-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:

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=C(N(N=C3C)C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NC3=C(N(N=C3C)C)C

InChI

InChI=1S/C18H24N4O2S2/c1-9-6-7-12-13(8-9)26-16(14(12)17(23)24-5)20-18(25)19-15-10(2)21-22(4)11(15)3/h9H,6-8H2,1-5H3,(H2,19,20,25)