[2-(benzenecarbonothioylamino)phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-(benzenecarbonothioylamino)phenyl] 4-methylbenzenesulfonate Openeye Name: [2-(benzenecarbonothioylamino)phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(benzenecarbonothioylamino)phenyl] ester IUPAC Name: [2-(benzenecarbonothioylamino)phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(benzenecarbonothioylamino)phenyl] ester Formula: C20H17NO3S2 MolecularWeight: 383.48388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2NC(=S)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2NC(=S)C3=CC=CC=C3

InChI

InChI=1S/C20H17NO3S2/c1-15-11-13-17(14-12-15)26(22,23)24-19-10-6-5-9-18(19)21-20(25)16-7-3-2-4-8-16/h2-14H,1H3,(H,21,25)