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

Systemtic Name: methyl 2-[(1,5-dimethylpyrazol-3-yl)methylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[(1,5-dimethylpyrazol-3-yl)methylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(1,5-dimethyl-3-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1,5-dimethylpyrazol-3-yl)methylcarbamothioylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[(1,5-dimethylpyrazol-3-yl)methylthiocarbamoylamino]-6-methyl-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)NCC3=NN(C(=C3)C)C

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC)NC(=S)NCC3=NN(C(=C3)C)C

InChI

InChI=1S/C18H24N4O2S2/c1-10-5-6-13-14(7-10)26-16(15(13)17(23)24-4)20-18(25)19-9-12-8-11(2)22(3)21-12/h8,10H,5-7,9H2,1-4H3,(H2,19,20,25)