methyl 4-[[4-chloranyl-3-[(E)-2-chloranylprop-1-enyl]phenyl]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-[[4-chloranyl-3-[(E)-2-chloranylprop-1-enyl]phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4-[[4-chloro-3-[(E)-2-chloroprop-1-enyl]phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-[[[4-chloro-3-[(E)-2-chloroprop-1-enyl]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-[[4-chloro-3-[(E)-2-chloroprop-1-enyl]phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-[[4-chloro-3-[(E)-2-chloroprop-1-enyl]phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C16H14Cl2N2O2S2 MolecularWeight: 401.33056

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=C(C=CC(=C1)NC(=S)NC2=CSC=C2C(=O)OC)Cl)Cl

Isomeric SMILES

C/C(=C\C1=C(C=CC(=C1)NC(=S)NC2=CSC=C2C(=O)OC)Cl)/Cl

InChI

InChI=1S/C16H14Cl2N2O2S2/c1-9(17)5-10-6-11(3-4-13(10)18)19-16(23)20-14-8-24-7-12(14)15(21)22-2/h3-8H,1-2H3,(H2,19,20,23)/b9-5+