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

Systemtic Name: S-[4-[(4-methylphenyl)carbamoyl]-3-(phenylcarbonylsulfanyl)-1,2-thiazol-5-yl] benzenecarbothioate Openeye Name: S-[3-benzoylsulfanyl-4-(p-tolylcarbamoyl)isothiazol-5-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-(benzoylthio)-4-[(4-methylanilino)-oxomethyl]-5-isothiazolyl] ester IUPAC Name: S-[3-benzoylsulfanyl-4-[(4-methylphenyl)carbamoyl]-1,2-thiazol-5-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-(benzoylthio)-4-(p-tolylcarbamoyl)isothiazol-5-yl] ester Formula: C25H18N2O3S3 MolecularWeight: 490.61702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=C(SN=C2SC(=O)C3=CC=CC=C3)SC(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=C(SN=C2SC(=O)C3=CC=CC=C3)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H18N2O3S3/c1-16-12-14-19(15-13-16)26-21(28)20-22(31-23(29)17-8-4-2-5-9-17)27-33-25(20)32-24(30)18-10-6-3-7-11-18/h2-15H,1H3,(H,26,28)