S-[2-[(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)carbamoyl]phenyl] 2,3,4-trimethoxybenzenecarbothioate

Systemtic Name: S-[2-[(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)carbamoyl]phenyl] 2,3,4-trimethoxybenzenecarbothioate Openeye Name: S-[2-[(1-carbamoyl-2-methyl-propyl)carbamoyl]phenyl] 2,3,4-trimethoxybenzenecarbothioate CAS Name: 2,3,4-trimethoxybenzenecarbothioic acid S-[2-[[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl]phenyl] 2,3,4-trimethoxybenzenecarbothioate Traditional Name: 2,3,4-trimethoxythiobenzoic acid S-[2-[(1-carbamoyl-2-methyl-propyl)carbamoyl]phenyl] ester Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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