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

Systemtic Name: S-[4-[(4-methoxyphenyl)carbamoyl]-3-(phenylcarbonylsulfanyl)-1,2-thiazol-5-yl] benzenecarbothioate Openeye Name: S-[3-benzoylsulfanyl-4-[(4-methoxyphenyl)carbamoyl]isothiazol-5-yl] benzenecarbothioate CAS Name: benzenecarbothioic acid S-[3-(benzoylthio)-4-[(4-methoxyanilino)-oxomethyl]-5-isothiazolyl] ester IUPAC Name: S-[3-benzoylsulfanyl-4-[(4-methoxyphenyl)carbamoyl]-1,2-thiazol-5-yl] benzenecarbothioate Traditional Name: thiobenzoic acid S-[3-(benzoylthio)-4-[(4-methoxyphenyl)carbamoyl]isothiazol-5-yl] ester Formula: C25H18N2O4S3 MolecularWeight: 506.61642

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)C2=C(SN=C2SC(=O)C3=CC=CC=C3)SC(=O)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)C2=C(SN=C2SC(=O)C3=CC=CC=C3)SC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H18N2O4S3/c1-31-19-14-12-18(13-15-19)26-21(28)20-22(32-23(29)16-8-4-2-5-9-16)27-34-25(20)33-24(30)17-10-6-3-7-11-17/h2-15H,1H3,(H,26,28)