S-[2-[(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)carbamoyl]phenyl] 2,5-dimethoxybenzenecarbothioate

Systemtic Name: S-[2-[(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)carbamoyl]phenyl] 2,5-dimethoxybenzenecarbothioate Openeye Name: S-[2-[(1-carbamoyl-2-methyl-propyl)carbamoyl]phenyl] 2,5-dimethoxybenzenecarbothioate CAS Name: 2,5-dimethoxybenzenecarbothioic 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] 2,5-dimethoxybenzenecarbothioate Traditional Name: 2,5-dimethoxythiobenzoic acid S-[2-[(1-carbamoyl-2-methyl-propyl)carbamoyl]phenyl] ester Formula: C21H24N2O5S MolecularWeight: 416.49066

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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