methyl 2-[(decanoylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate

Systemtic Name: methyl 2-[(decanoylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(decanoylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(1-oxodecylhydrazo)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(decanoylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(caprylamino)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C20H31N3O3S2 MolecularWeight: 425.60844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)NNC(=S)NC1=C(C2=C(S1)CCC2)C(=O)OC

Isomeric SMILES

CCCCCCCCCC(=O)NNC(=S)NC1=C(C2=C(S1)CCC2)C(=O)OC

InChI

InChI=1S/C20H31N3O3S2/c1-3-4-5-6-7-8-9-13-16(24)22-23-20(27)21-18-17(19(25)26-2)14-11-10-12-15(14)28-18/h3-13H2,1-2H3,(H,22,24)(H2,21,23,27)