S-[2-[[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl] N-(4-nitrophenyl)carbamothioate

Systemtic Name: S-[2-[[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl] N-(4-nitrophenyl)carbamothioate Openeye Name: S-[2-[[(1R)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]phenyl] N-(4-nitrophenyl)carbamothioate CAS Name: N-(4-nitrophenyl)carbamothioic acid S-[2-[[[(2R)-1-amino-1-oxopropan-2-yl]amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[[(2R)-1-amino-1-oxopropan-2-yl]carbamoyl]phenyl] N-(4-nitrophenyl)carbamothioate Traditional Name: N-(4-nitrophenyl)thiocarbamic acid S-[2-[[(1R)-2-amino-2-keto-1-methyl-ethyl]carbamoyl]phenyl] ester Formula: C17H16N4O5S MolecularWeight: 388.39774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)N)NC(=O)C1=CC=CC=C1SC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5S/c1-10(15(18)22)19-16(23)13-4-2-3-5-14(13)27-17(24)20-11-6-8-12(9-7-11)21(25)26/h2-10H,1H3,(H2,18,22)(H,19,23)(H,20,24)/t10-/m1/s1