3-chloranyl-5-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-4-methoxy-benzoic acid

Systemtic Name: 3-chloranyl-5-[2-(4-chlorophenyl)sulfanylethanoylcarbamothioylamino]-4-methoxy-benzoic acid Openeye Name: 3-chloro-5-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-4-methoxy-benzoic acid CAS Name: 3-chloro-5-[[[[2-[(4-chlorophenyl)thio]-1-oxoethyl]amino]-sulfanylidenemethyl]amino]-4-methoxybenzoic acid IUPAC Name: 3-chloro-5-[[2-(4-chlorophenyl)sulfanylacetyl]carbamothioylamino]-4-methoxybenzoic acid Traditional Name: 3-chloro-5-[[2-[(4-chlorophenyl)thio]acetyl]thiocarbamoylamino]-4-methoxy-benzoic acid Formula: C17H14Cl2N2O4S2 MolecularWeight: 445.34006

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)O)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)O)NC(=S)NC(=O)CSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H14Cl2N2O4S2/c1-25-15-12(19)6-9(16(23)24)7-13(15)20-17(26)21-14(22)8-27-11-4-2-10(18)3-5-11/h2-7H,8H2,1H3,(H,23,24)(H2,20,21,22,26)