S-[2-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl] 2,2-dimethylbutanethioate

Systemtic Name: S-[2-[[(2S)-1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl] 2,2-dimethylbutanethioate Openeye Name: S-[2-[[(1S)-1-carbamoyl-3-methylsulfanyl-propyl]carbamoyl]phenyl] 2,2-dimethylbutanethioate CAS Name: 2,2-dimethylbutanethioic acid S-[2-[[[(2S)-1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]carbamoyl]phenyl] 2,2-dimethylbutanethioate Traditional Name: 2,2-dimethylbutanethioic acid S-[2-[[(1S)-1-carbamoyl-3-(methylthio)propyl]carbamoyl]phenyl] ester Formula: C18H26N2O3S2 MolecularWeight: 382.54064

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C(=O)SC1=CC=CC=C1C(=O)NC(CCSC)C(=O)N

Isomeric SMILES

CCC(C)(C)C(=O)SC1=CC=CC=C1C(=O)N[C@@H](CCSC)C(=O)N

InChI

InChI=1S/C18H26N2O3S2/c1-5-18(2,3)17(23)25-14-9-7-6-8-12(14)16(22)20-13(15(19)21)10-11-24-4/h6-9,13H,5,10-11H2,1-4H3,(H2,19,21)(H,20,22)/t13-/m0/s1