methyl 4-(4-chlorophenyl)sulfanyl-3-[(4-phenoxyphenyl)carbamothioylamino]benzoate

Systemtic Name: methyl 4-(4-chlorophenyl)sulfanyl-3-[(4-phenoxyphenyl)carbamothioylamino]benzoate Openeye Name: methyl 4-(4-chlorophenyl)sulfanyl-3-[(4-phenoxyphenyl)carbamothioylamino]benzoate CAS Name: 4-[(4-chlorophenyl)thio]-3-[[(4-phenoxyanilino)-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)sulfanyl-3-[(4-phenoxyphenyl)carbamothioylamino]benzoate Traditional Name: 4-[(4-chlorophenyl)thio]-3-[(4-phenoxyphenyl)thiocarbamoylamino]benzoic acid methyl ester Formula: C27H21ClN2O3S2 MolecularWeight: 521.05024

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)NC(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)SC2=CC=C(C=C2)Cl)NC(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H21ClN2O3S2/c1-32-26(31)18-7-16-25(35-23-14-8-19(28)9-15-23)24(17-18)30-27(34)29-20-10-12-22(13-11-20)33-21-5-3-2-4-6-21/h2-17H,1H3,(H2,29,30,34)