N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-chlorophenyl)ethanamide

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-chlorophenyl)ethanamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-chlorophenyl)acetamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-(4-chlorophenyl)acetamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-(4-chlorophenyl)acetamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-(4-chlorophenyl)acetamide Formula: C20H20ClN3OS2 MolecularWeight: 417.9753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3OS2/c1-2-3-4-13-7-10-16-17(11-13)27-20(22-16)24-19(26)23-18(25)12-14-5-8-15(21)9-6-14/h5-11H,2-4,12H2,1H3,(H2,22,23,24,25,26)