S-[4-[(4-chlorophenyl)carbamoyl]-3-(phenylcarbonylsulfanyl)-1,2-thiazol-5-yl] benzenecarbothioate

Systemtic Name: S-[4-[(4-chlorophenyl)carbamoyl]-3-(phenylcarbonylsulfanyl)-1,2-thiazol-5-yl] benzenecarbothioate Openeye Name: S-[3-benzoylsulfanyl-4-[(4-chlorophenyl)carbamoyl]isothiazol-5-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-(benzoylthio)-4-[(4-chloroanilino)-oxomethyl]-5-isothiazolyl] ester IUPAC Name: S-[3-benzoylsulfanyl-4-[(4-chlorophenyl)carbamoyl]-1,2-thiazol-5-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-(benzoylthio)-4-[(4-chlorophenyl)carbamoyl]isothiazol-5-yl] ester Formula: C24H15ClN2O3S3 MolecularWeight: 511.0355

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SC2=C(C(=NS2)SC(=O)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(=O)SC2=C(C(=NS2)SC(=O)C3=CC=CC=C3)C(=O)NC4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H15ClN2O3S3/c25-17-11-13-18(14-12-17)26-20(28)19-21(31-22(29)15-7-3-1-4-8-15)27-33-24(19)32-23(30)16-9-5-2-6-10-16/h1-14H,(H,26,28)