S-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl] N-(2-bromoethyl)carbamothioate

Systemtic Name: S-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl] N-(2-bromoethyl)carbamothioate Openeye Name: S-[2-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl] N-(2-bromoethyl)carbamothioate CAS Name: N-(2-bromoethyl)carbamothioic acid S-[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(2-amino-2-oxoethyl)carbamoyl]phenyl] N-(2-bromoethyl)carbamothioate Traditional Name: N-(2-bromoethyl)thiocarbamic acid S-[2-[(2-amino-2-keto-ethyl)carbamoyl]phenyl] ester Formula: C12H14BrN3O3S MolecularWeight: 360.22686

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NCC(=O)N)SC(=O)NCCBr

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NCC(=O)N)SC(=O)NCCBr

InChI

InChI=1S/C12H14BrN3O3S/c13-5-6-15-12(19)20-9-4-2-1-3-8(9)11(18)16-7-10(14)17/h1-4H,5-7H2,(H2,14,17)(H,15,19)(H,16,18)