methyl 3-chloranyl-6-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(3-chloro-4-methoxy-phenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(3-chloro-4-methoxyphenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(3-chloro-4-methoxy-phenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C18H14Cl2N2O3S2 MolecularWeight: 441.35136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl)Cl

InChI

InChI=1S/C18H14Cl2N2O3S2/c1-24-13-6-4-9(7-12(13)19)21-18(26)22-10-3-5-11-14(8-10)27-16(15(11)20)17(23)25-2/h3-8H,1-2H3,(H2,21,22,26)