methyl 2-(3,3-dimethylbutan-2-ylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-(3,3-dimethylbutan-2-ylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(1,2,2-trimethylpropylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(3,3-dimethylbutan-2-ylamino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3,3-dimethylbutan-2-ylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(1,2,2-trimethylpropylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C18H28N2O2S2 MolecularWeight: 368.55712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)C)NC(=S)NC1=C(C2=C(S1)CCCCC2)C(=O)OC

Isomeric SMILES

CC(C(C)(C)C)NC(=S)NC1=C(C2=C(S1)CCCCC2)C(=O)OC

InChI

InChI=1S/C18H28N2O2S2/c1-11(18(2,3)4)19-17(23)20-15-14(16(21)22-5)12-9-7-6-8-10-13(12)24-15/h11H,6-10H2,1-5H3,(H2,19,20,23)