S-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl] N-(3-chloranylpropyl)carbamothioate

Systemtic Name: S-[2-[(2-azanyl-2-oxidanylidene-ethyl)carbamoyl]phenyl] N-(3-chloranylpropyl)carbamothioate Openeye Name: S-[2-[(2-amino-2-oxo-ethyl)carbamoyl]phenyl] N-(3-chloropropyl)carbamothioate CAS Name: N-(3-chloropropyl)carbamothioic acid S-[2-[[(2-amino-2-oxoethyl)amino]-oxomethyl]phenyl] ester IUPAC Name: S-[2-[(2-amino-2-oxoethyl)carbamoyl]phenyl] N-(3-chloropropyl)carbamothioate Traditional Name: N-(3-chloropropyl)thiocarbamic acid S-[2-[(2-amino-2-keto-ethyl)carbamoyl]phenyl] ester Formula: C13H16ClN3O3S MolecularWeight: 329.80244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O3S/c14-6-3-7-16-13(20)21-10-5-2-1-4-9(10)12(19)17-8-11(15)18/h1-2,4-5H,3,6-8H2,(H2,15,18)(H,16,20)(H,17,19)