S-[2-[[(2S)-1-azanyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl] 2,2-dimethylpropanethioate

Systemtic Name: S-[2-[[(2S)-1-azanyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl] 2,2-dimethylpropanethioate Openeye Name: S-[2-[[(1S)-1-carbamoylpropyl]carbamoyl]phenyl] 2,2-dimethylpropanethioate CAS Name: 2,2-dimethylpropanethioic acid S-[2-[[[(2S)-1-amino-1-oxobutan-2-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[(2S)-1-amino-1-oxobutan-2-yl]carbamoyl]phenyl] 2,2-dimethylpropanethioate Traditional Name: 2,2-dimethylpropanethioic acid S-[2-[[(1S)-1-carbamoylpropyl]carbamoyl]phenyl] ester Formula: C16H22N2O3S MolecularWeight: 322.42248

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3S/c1-5-11(13(17)19)18-14(20)10-8-6-7-9-12(10)22-15(21)16(2,3)4/h6-9,11H,5H2,1-4H3,(H2,17,19)(H,18,20)/t11-/m0/s1