S-[2-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl] 4-tert-butylbenzenecarbothioate

Systemtic Name: S-[2-[[(2S)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl] 4-tert-butylbenzenecarbothioate Openeye Name: S-[2-[[(1S)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]phenyl] 4-tert-butylbenzenecarbothioate CAS Name: 4-tert-butylbenzenecarbothioic acid S-[2-[[[(2S)-1-amino-1-oxopropan-2-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[(2S)-1-amino-1-oxopropan-2-yl]carbamoyl]phenyl] 4-tert-butylbenzenecarbothioate Traditional Name: 4-tert-butylthiobenzoic acid S-[2-[[(1S)-2-amino-2-keto-1-methyl-ethyl]carbamoyl]phenyl] ester Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O3S/c1-13(18(22)24)23-19(25)16-7-5-6-8-17(16)27-20(26)14-9-11-15(12-10-14)21(2,3)4/h5-13H,1-4H3,(H2,22,24)(H,23,25)/t13-/m0/s1