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

Systemtic Name: methyl 2-[(undecanoylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Openeye Name: methyl 2-[(undecanoylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate CAS Name: 2-[[(1-oxoundecylhydrazo)-sulfanylidenemethyl]amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[(undecanoylamino)carbamothioylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate Traditional Name: 2-[(undecanoylamino)thiocarbamoylamino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester Formula: C21H33N3O3S2 MolecularWeight: 439.63502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O3S2/c1-3-4-5-6-7-8-9-10-14-17(25)23-24-21(28)22-19-18(20(26)27-2)15-12-11-13-16(15)29-19/h3-14H2,1-2H3,(H,23,25)(H2,22,24,28)