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

Systemtic Name: methyl 2-(propan-2-ylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(isopropylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(propan-2-ylamino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(propan-2-ylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(isopropylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C15H22N2O2S2 MolecularWeight: 326.47738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N2O2S2/c1-9(2)16-15(20)17-13-12(14(18)19-3)10-7-5-4-6-8-11(10)21-13/h9H,4-8H2,1-3H3,(H2,16,17,20)