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

Systemtic Name: methyl 3-chloranyl-6-[(4-iodophenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[(4-iodophenyl)carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[(4-iodoanilino)-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[(4-iodophenyl)carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[(4-iodophenyl)thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C17H12ClIN2O2S2 MolecularWeight: 502.77685

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12ClIN2O2S2/c1-23-16(22)15-14(18)12-7-6-11(8-13(12)25-15)21-17(24)20-10-4-2-9(19)3-5-10/h2-8H,1H3,(H2,20,21,24)