methyl 3-chloranyl-6-[(2,4-dichlorophenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[(2,4-dichlorophenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(2,4-dichlorophenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(2,4-dichloroanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(2,4-dichlorophenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(2,4-dichlorophenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H11Cl3N2O2S2 MolecularWeight: 445.77044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=C(C=C(C=C3)Cl)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=C(C=C(C=C3)Cl)Cl)Cl

InChI

InChI=1S/C17H11Cl3N2O2S2/c1-24-16(23)15-14(20)10-4-3-9(7-13(10)26-15)21-17(25)22-12-5-2-8(18)6-11(12)19/h2-7H,1H3,(H2,21,22,25)