S-[2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl] 2,5-dimethoxybenzenecarbothioate

Systemtic Name: S-[2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]carbamoyl]phenyl] 2,5-dimethoxybenzenecarbothioate Openeye Name: S-[2-[[2-(isopropylamino)-2-oxo-ethyl]carbamoyl]phenyl] 2,5-dimethoxybenzenecarbothioate CAS Name: 2,5-dimethoxybenzenecarbothioic 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] 2,5-dimethoxybenzenecarbothioate Traditional Name: 2,5-dimethoxythiobenzoic acid S-[2-[[2-(isopropylamino)-2-keto-ethyl]carbamoyl]phenyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-13(2)23-19(24)12-22-20(25)15-7-5-6-8-18(15)29-21(26)16-11-14(27-3)9-10-17(16)28-4/h5-11,13H,12H2,1-4H3,(H,22,25)(H,23,24)