[4-[(4-aminocarbonyloxy-5-chloranyl-2-methoxy-phenyl)carbamothioylamino]phenyl]carbamic acid

Systemtic Name: [4-[(4-aminocarbonyloxy-5-chloranyl-2-methoxy-phenyl)carbamothioylamino]phenyl]carbamic acid Openeye Name: [4-[(4-carbamoyloxy-5-chloro-2-methoxy-phenyl)carbamothioylamino]phenyl]carbamic acid CAS Name: [4-[[(4-carbamoyloxy-5-chloro-2-methoxyanilino)-sulfanylidenemethyl]amino]phenyl]carbamic acid IUPAC Name: [4-[(4-carbamoyloxy-5-chloro-2-methoxyphenyl)carbamothioylamino]phenyl]carbamic acid Traditional Name: [4-[(4-carbamoyloxy-5-chloro-2-methoxy-phenyl)thiocarbamoylamino]phenyl]carbamic acid Formula: C16H15ClN4O5S MolecularWeight: 410.8321

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)NC2=CC=C(C=C2)NC(=O)O)Cl)OC(=O)N

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)NC2=CC=C(C=C2)NC(=O)O)Cl)OC(=O)N

InChI

InChI=1S/C16H15ClN4O5S/c1-25-13-7-12(26-14(18)22)10(17)6-11(13)21-15(27)19-8-2-4-9(5-3-8)20-16(23)24/h2-7,20H,1H3,(H2,18,22)(H,23,24)(H2,19,21,27)