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

Systemtic Name: S-[2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl] 3,4,5-trimethoxybenzenecarbothioate Openeye Name: S-[2-[[2-(isopropylamino)-2-oxo-ethyl]carbamoyl]phenyl] 3,4,5-trimethoxybenzenecarbothioate CAS Name: 3,4,5-trimethoxybenzenecarbothioic acid S-[2-[oxo-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]methyl]phenyl] ester IUPAC Name: S-[2-[[2-oxo-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl] 3,4,5-trimethoxybenzenecarbothioate Traditional Name: 3,4,5-trimethoxythiobenzoic acid S-[2-[[2-(isopropylamino)-2-keto-ethyl]carbamoyl]phenyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O6S/c1-13(2)24-19(25)12-23-21(26)15-8-6-7-9-18(15)31-22(27)14-10-16(28-3)20(30-5)17(11-14)29-4/h6-11,13H,12H2,1-5H3,(H,23,26)(H,24,25)