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

Systemtic Name: methyl 2-(pentylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(pentylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(pentylamino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(pentylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(amylthiocarbamoylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester Formula: C17H26N2O2S2 MolecularWeight: 354.53054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=S)NC1=C(C2=C(S1)CCCCC2)C(=O)OC

Isomeric SMILES

CCCCCNC(=S)NC1=C(C2=C(S1)CCCCC2)C(=O)OC

InChI

InChI=1S/C17H26N2O2S2/c1-3-4-8-11-18-17(22)19-15-14(16(20)21-2)12-9-6-5-7-10-13(12)23-15/h3-11H2,1-2H3,(H2,18,19,22)