methyl N-[[3-chloranyl-4-[(5-chloranyl-2-oxidanyl-phenyl)carbonylamino]phenyl]carbamothioyl]carbamate

Systemtic Name: methyl N-[[3-chloranyl-4-[(5-chloranyl-2-oxidanyl-phenyl)carbonylamino]phenyl]carbamothioyl]carbamate Openeye Name: methyl N-[[3-chloro-4-[(5-chloro-2-hydroxy-benzoyl)amino]phenyl]carbamothioyl]carbamate CAS Name: N-[[3-chloro-4-[[(5-chloro-2-hydroxyphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]carbamic acid methyl ester IUPAC Name: methyl N-[[3-chloro-4-[(5-chloro-2-hydroxybenzoyl)amino]phenyl]carbamothioyl]carbamate Traditional Name: N-[[3-chloro-4-[(5-chloro-2-hydroxy-benzoyl)amino]phenyl]thiocarbamoyl]carbamic acid methyl ester Formula: C16H13Cl2N3O4S MolecularWeight: 414.26312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC(=S)NC1=CC(=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)O)Cl

Isomeric SMILES

COC(=O)NC(=S)NC1=CC(=C(C=C1)NC(=O)C2=C(C=CC(=C2)Cl)O)Cl

InChI

InChI=1S/C16H13Cl2N3O4S/c1-25-16(24)21-15(26)19-9-3-4-12(11(18)7-9)20-14(23)10-6-8(17)2-5-13(10)22/h2-7,22H,1H3,(H,20,23)(H2,19,21,24,26)