4-butoxy-N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide

Systemtic Name: 4-butoxy-N-[(5-chloranyl-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Openeye Name: 4-butoxy-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide CAS Name: 4-butoxy-N-[[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-butoxy-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]benzamide Traditional Name: 4-butoxy-N-[(5-chloro-6-methyl-1,3-benzothiazol-2-yl)thiocarbamoyl]benzamide Formula: C20H20ClN3O2S2 MolecularWeight: 433.9747

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C(=C3)Cl)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC3=C(S2)C=C(C(=C3)Cl)C

InChI

InChI=1S/C20H20ClN3O2S2/c1-3-4-9-26-14-7-5-13(6-8-14)18(25)23-19(27)24-20-22-16-11-15(21)12(2)10-17(16)28-20/h5-8,10-11H,3-4,9H2,1-2H3,(H2,22,23,24,25,27)