S-phenylazanyl N-[5-[bis(azanyl)methylidenecarbamoyl]-2-chloranyl-phenyl]carbamothioate

Systemtic Name: S-phenylazanyl N-[5-[bis(azanyl)methylidenecarbamoyl]-2-chloranyl-phenyl]carbamothioate Openeye Name: S-anilino N-[2-chloro-5-(diaminomethylenecarbamoyl)phenyl]carbamothioate CAS Name: N-[2-chloro-5-[(diaminomethylideneamino)-oxomethyl]phenyl]carbamothioic acid S-anilino ester IUPAC Name: S-anilino N-[2-chloro-5-(diaminomethylidenecarbamoyl)phenyl]carbamothioate Traditional Name: N-[2-chloro-5-(diaminomethylenecarbamoyl)phenyl]thiocarbamic acid S-anilino ester Formula: C15H14ClN5O2S MolecularWeight: 363.82196

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NSC(=O)NC2=C(C=CC(=C2)C(=O)N=C(N)N)Cl

Isomeric SMILES

C1=CC=C(C=C1)NSC(=O)NC2=C(C=CC(=C2)C(=O)N=C(N)N)Cl

InChI

InChI=1S/C15H14ClN5O2S/c16-11-7-6-9(13(22)20-14(17)18)8-12(11)19-15(23)24-21-10-4-2-1-3-5-10/h1-8,21H,(H,19,23)(H4,17,18,20,22)