methyl 2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[[(1-ethyl-3-methyl-4-pyrazolyl)methylamino]-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(1-ethyl-3-methylpyrazol-4-yl)methylcarbamothioylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-[(1-ethyl-3-methyl-pyrazol-4-yl)methylthiocarbamoylamino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C19H26N4O2S2 MolecularWeight: 406.56534

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=N1)C)CNC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OC

Isomeric SMILES

CCN1C=C(C(=N1)C)CNC(=S)NC2=C(C3=C(S2)CCCCC3)C(=O)OC

InChI

InChI=1S/C19H26N4O2S2/c1-4-23-11-13(12(2)22-23)10-20-19(26)21-17-16(18(24)25-3)14-8-6-5-7-9-15(14)27-17/h11H,4-10H2,1-3H3,(H2,20,21,26)