S-[2-[[(2S)-1-azanyl-1-oxidanylidene-pentan-2-yl]carbamoyl]phenyl] 2,2-dimethylbutanethioate

Systemtic Name: S-[2-[[(2S)-1-azanyl-1-oxidanylidene-pentan-2-yl]carbamoyl]phenyl] 2,2-dimethylbutanethioate Openeye Name: S-[2-[[(1S)-1-carbamoylbutyl]carbamoyl]phenyl] 2,2-dimethylbutanethioate CAS Name: 2,2-dimethylbutanethioic acid S-[2-[[[(2S)-1-amino-1-oxopentan-2-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[(2S)-1-amino-1-oxopentan-2-yl]carbamoyl]phenyl] 2,2-dimethylbutanethioate Traditional Name: 2,2-dimethylbutanethioic acid S-[2-[[(1S)-1-carbamoylbutyl]carbamoyl]phenyl] ester Formula: C18H26N2O3S MolecularWeight: 350.47564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O3S/c1-5-9-13(15(19)21)20-16(22)12-10-7-8-11-14(12)24-17(23)18(3,4)6-2/h7-8,10-11,13H,5-6,9H2,1-4H3,(H2,19,21)(H,20,22)/t13-/m0/s1