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

Systemtic Name: S-[3-(5-chloranyl-2-oxidanylidene-1,3-benzothiazol-3-yl)propyl] N,N-dipropylcarbamothioate Openeye Name: S-[3-(5-chloro-2-oxo-1,3-benzothiazol-3-yl)propyl] N,N-dipropylcarbamothioate CAS Name: N,N-dipropylcarbamothioic 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-dipropylcarbamothioate Traditional Name: N,N-dipropylthiocarbamic acid S-[3-(5-chloro-2-keto-1,3-benzothiazol-3-yl)propyl] ester Formula: C17H23ClN2O2S2 MolecularWeight: 386.95972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)C(=O)SCCCN1C2=C(C=CC(=C2)Cl)SC1=O

Isomeric SMILES

CCCN(CCC)C(=O)SCCCN1C2=C(C=CC(=C2)Cl)SC1=O

InChI

InChI=1S/C17H23ClN2O2S2/c1-3-8-19(9-4-2)16(21)23-11-5-10-20-14-12-13(18)6-7-15(14)24-17(20)22/h6-7,12H,3-5,8-11H2,1-2H3