S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-4-chloranyl-phenyl] N-tert-butylcarbamothioate

Systemtic Name: S-[2-[(3-azanyl-3-oxidanylidene-propyl)carbamoyl]-4-chloranyl-phenyl] N-tert-butylcarbamothioate Openeye Name: S-[2-[(3-amino-3-oxo-propyl)carbamoyl]-4-chloro-phenyl] N-tert-butylcarbamothioate CAS Name: N-tert-butylcarbamothioic acid S-[2-[[(3-amino-3-oxopropyl)amino]-oxomethyl]-4-chlorophenyl] ester IUPAC Name: S-[2-[(3-amino-3-oxopropyl)carbamoyl]-4-chlorophenyl] N-tert-butylcarbamothioate Traditional Name: N-tert-butylthiocarbamic acid S-[2-[(3-amino-3-keto-propyl)carbamoyl]-4-chloro-phenyl] ester Formula: C15H20ClN3O3S MolecularWeight: 357.8556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)SC1=C(C=C(C=C1)Cl)C(=O)NCCC(=O)N

Isomeric SMILES

CC(C)(C)NC(=O)SC1=C(C=C(C=C1)Cl)C(=O)NCCC(=O)N

InChI

InChI=1S/C15H20ClN3O3S/c1-15(2,3)19-14(22)23-11-5-4-9(16)8-10(11)13(21)18-7-6-12(17)20/h4-5,8H,6-7H2,1-3H3,(H2,17,20)(H,18,21)(H,19,22)