N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-chloranyl-4-methyl-benzamide

Systemtic Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-chloranyl-4-methyl-benzamide Openeye Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-chloro-4-methyl-benzamide CAS Name: N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-3-chloro-4-methylbenzamide IUPAC Name: N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-3-chloro-4-methylbenzamide Traditional Name: N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-3-chloro-4-methyl-benzamide 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)C3=CC(=C(C=C3)C)Cl

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClN3OS2/c1-3-4-5-13-7-9-16-17(10-13)27-20(22-16)24-19(26)23-18(25)14-8-6-12(2)15(21)11-14/h6-11H,3-5H2,1-2H3,(H2,22,23,24,25,26)