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

Systemtic Name: methyl 2-(3-methylbutylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Openeye Name: methyl 2-(isopentylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate CAS Name: 2-[[(3-methylbutylamino)-sulfanylidenemethyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-(3-methylbutylcarbamothioylamino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate Traditional Name: 2-(isoamylthiocarbamoylamino)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N2O2S2/c1-11(2)9-10-18-17(22)19-15-14(16(20)21-3)12-7-5-4-6-8-13(12)23-15/h11H,4-10H2,1-3H3,(H2,18,19,22)