methyl 6-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 6-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]carbamothioylamino]-3-chloranyl-1-benzothiophene-2-carboxylate Openeye Name: methyl 6-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]carbamothioylamino]-3-chloro-benzothiophene-2-carboxylate CAS Name: 6-[[[[2-(1,3-benzodioxol-5-yloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-3-chloro-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 6-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]carbamothioylamino]-3-chloro-1-benzothiophene-2-carboxylate Traditional Name: 6-[[2-(1,3-benzodioxol-5-yloxy)propanoylamino]thiocarbamoylamino]-3-chloro-benzothiophene-2-carboxylic acid methyl ester Formula: C21H18ClN3O6S2 MolecularWeight: 507.96712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl)OC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C(=O)NNC(=S)NC1=CC2=C(C=C1)C(=C(S2)C(=O)OC)Cl)OC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H18ClN3O6S2/c1-10(31-12-4-6-14-15(8-12)30-9-29-14)19(26)24-25-21(32)23-11-3-5-13-16(7-11)33-18(17(13)22)20(27)28-2/h3-8,10H,9H2,1-2H3,(H,24,26)(H2,23,25,32)