S-[3-chloranyl-4-(diethylsulfamoyl)phenyl] 4-[bis(azanyl)methylideneamino]benzenecarbothioate

Systemtic Name: S-[3-chloranyl-4-(diethylsulfamoyl)phenyl] 4-[bis(azanyl)methylideneamino]benzenecarbothioate Openeye Name: S-[3-chloro-4-(diethylsulfamoyl)phenyl] 4-guanidinobenzenecarbothioate CAS Name: 4-(diaminomethylideneamino)benzenecarbothioic acid S-[3-chloro-4-(diethylsulfamoyl)phenyl] ester IUPAC Name: S-[3-chloro-4-(diethylsulfamoyl)phenyl] 4-(diaminomethylideneamino)benzenecarbothioate Traditional Name: 4-guanidinothiobenzoic acid S-[3-chloro-4-(diethylsulfamoyl)phenyl] ester Formula: C18H21ClN4O3S2 MolecularWeight: 440.96734

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=C(C=C1)SC(=O)C2=CC=C(C=C2)N=C(N)N)Cl

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=C(C=C1)SC(=O)C2=CC=C(C=C2)N=C(N)N)Cl

InChI

InChI=1S/C18H21ClN4O3S2/c1-3-23(4-2)28(25,26)16-10-9-14(11-15(16)19)27-17(24)12-5-7-13(8-6-12)22-18(20)21/h5-11H,3-4H2,1-2H3,(H4,20,21,22)