S-[3-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)propyl] N,N-diethylcarbamothioate

Systemtic Name: S-[3-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)propyl] N,N-diethylcarbamothioate Openeye Name: S-[3-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)propyl] N,N-diethylcarbamothioate CAS Name: N,N-diethylcarbamothioic acid S-[3-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)propyl] ester IUPAC Name: S-[3-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)propyl] N,N-diethylcarbamothioate Traditional Name: N,N-diethylthiocarbamic acid S-[3-(5-chloro-2-keto-1,3-benzothiazol-3-yl)propyl] ester Formula: C15H19ClN2O2S2 MolecularWeight: 358.90656

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)SCCCN1C2=C(C=CC(=C2)Cl)SC1=O

Isomeric SMILES

CCN(CC)C(=O)SCCCN1C2=C(C=CC(=C2)Cl)SC1=O

InChI

InChI=1S/C15H19ClN2O2S2/c1-3-17(4-2)14(19)21-9-5-8-18-12-10-11(16)6-7-13(12)22-15(18)20/h6-7,10H,3-5,8-9H2,1-2H3