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

Systemtic Name: S-[2-[[(2R)-1-azanyl-1-oxidanylidene-propan-2-yl]carbamoyl]phenyl] N-(2-bromoethyl)carbamothioate Openeye Name: S-[2-[[(1R)-2-amino-1-methyl-2-oxo-ethyl]carbamoyl]phenyl] N-(2-bromoethyl)carbamothioate CAS Name: N-(2-bromoethyl)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-(2-bromoethyl)carbamothioate Traditional Name: N-(2-bromoethyl)thiocarbamic acid S-[2-[[(1R)-2-amino-2-keto-1-methyl-ethyl]carbamoyl]phenyl] ester Formula: C13H16BrN3O3S MolecularWeight: 374.25344

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrN3O3S/c1-8(11(15)18)17-12(19)9-4-2-3-5-10(9)21-13(20)16-7-6-14/h2-5,8H,6-7H2,1H3,(H2,15,18)(H,16,20)(H,17,19)/t8-/m1/s1