S-[2-[[2-(methylamino)-2-oxidanylidene-ethyl]carbamoyl]phenyl] 3,4,5-trimethoxybenzenecarbothioate

Systemtic Name: S-[2-[[2-(methylamino)-2-oxidanylidene-ethyl]carbamoyl]phenyl] 3,4,5-trimethoxybenzenecarbothioate Openeye Name: S-[2-[[2-(methylamino)-2-oxo-ethyl]carbamoyl]phenyl] 3,4,5-trimethoxybenzenecarbothioate CAS Name: 3,4,5-trimethoxybenzenecarbothioic acid S-[2-[[[2-(methylamino)-2-oxoethyl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[2-(methylamino)-2-oxoethyl]carbamoyl]phenyl] 3,4,5-trimethoxybenzenecarbothioate Traditional Name: 3,4,5-trimethoxythiobenzoic acid S-[2-[[2-keto-2-(methylamino)ethyl]carbamoyl]phenyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CNC(=O)C1=CC=CC=C1SC(=O)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CNC(=O)CNC(=O)C1=CC=CC=C1SC(=O)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C20H22N2O6S/c1-21-17(23)11-22-19(24)13-7-5-6-8-16(13)29-20(25)12-9-14(26-2)18(28-4)15(10-12)27-3/h5-10H,11H2,1-4H3,(H,21,23)(H,22,24)