methyl 2-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[3-(4-chloranylphenoxy)-5-nitro-phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[3-(4-chlorophenoxy)-5-nitro-phenyl]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 2-[[[3-(4-chlorophenoxy)-5-nitroanilino]-sulfanylidenemethyl]amino]-5-ethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[3-(4-chlorophenoxy)-5-nitrophenyl]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[3-(4-chlorophenoxy)-5-nitro-phenyl]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H18ClN3O5S2 MolecularWeight: 491.96772

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC(=CC(=C2)OC3=CC=C(C=C3)Cl)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H18ClN3O5S2/c1-3-17-11-18(20(26)29-2)19(32-17)24-21(31)23-13-8-14(25(27)28)10-16(9-13)30-15-6-4-12(22)5-7-15/h4-11H,3H2,1-2H3,(H2,23,24,31)