methyl 2-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[3,5-bis(chloranyl)-4-oxidanyl-phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(3,5-dichloro-4-hydroxy-phenyl)carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(3,5-dichloro-4-hydroxyanilino)-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(3,5-dichloro-4-hydroxyphenyl)carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(3,5-dichloro-4-hydroxy-phenyl)thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H16Cl2N2O3S2 MolecularWeight: 467.38864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=S)NC2=CC(=C(C(=C2)Cl)O)Cl)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=S)NC2=CC(=C(C(=C2)Cl)O)Cl)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H16Cl2N2O3S2/c1-10-15(11-6-4-3-5-7-11)16(19(26)27-2)18(29-10)24-20(28)23-12-8-13(21)17(25)14(22)9-12/h3-9,25H,1-2H3,(H2,23,24,28)