S-[2-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]phenyl] 2,4,5-trimethoxybenzenecarbothioate

Systemtic Name: S-[2-[[(2S)-1-azanyl-4-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]phenyl] 2,4,5-trimethoxybenzenecarbothioate Openeye Name: S-[2-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]phenyl] 2,4,5-trimethoxybenzenecarbothioate CAS Name: 2,4,5-trimethoxybenzenecarbothioic acid S-[2-[[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]carbamoyl]phenyl] 2,4,5-trimethoxybenzenecarbothioate Traditional Name: 2,4,5-trimethoxythiobenzoic acid S-[2-[[(1S)-1-carbamoyl-3-methyl-butyl]carbamoyl]phenyl] ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)C2=CC(=C(C=C2OC)OC)OC

Isomeric SMILES

CC(C)C[C@@H](C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)C2=CC(=C(C=C2OC)OC)OC

InChI

InChI=1S/C23H28N2O6S/c1-13(2)10-16(21(24)26)25-22(27)14-8-6-7-9-20(14)32-23(28)15-11-18(30-4)19(31-5)12-17(15)29-3/h6-9,11-13,16H,10H2,1-5H3,(H2,24,26)(H,25,27)/t16-/m0/s1