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

Systemtic Name: S-[2-[[(2S)-1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl] 2,4-dimethoxybenzenecarbothioate Openeye Name: S-[2-[[(1S)-1-carbamoyl-2-methyl-propyl]carbamoyl]phenyl] 2,4-dimethoxybenzenecarbothioate CAS Name: 2,4-dimethoxybenzenecarbothioic acid S-[2-[[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]carbamoyl]phenyl] 2,4-dimethoxybenzenecarbothioate Traditional Name: 2,4-dimethoxythiobenzoic acid S-[2-[[(1S)-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=C(C=C2)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S/c1-12(2)18(19(22)24)23-20(25)15-7-5-6-8-17(15)29-21(26)14-10-9-13(27-3)11-16(14)28-4/h5-12,18H,1-4H3,(H2,22,24)(H,23,25)/t18-/m0/s1