5-bromanyl-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxy-3-methyl-benzamide

Systemtic Name: 5-bromanyl-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[(6-butyl-1,3-benzothiazol-2-yl)amino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[(6-butyl-1,3-benzothiazol-2-yl)carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[(6-butyl-1,3-benzothiazol-2-yl)thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C21H22BrN3O2S2 MolecularWeight: 492.45228

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(=CC(=C3OC)C)Br

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N=C(S2)NC(=S)NC(=O)C3=CC(=CC(=C3OC)C)Br

InChI

InChI=1S/C21H22BrN3O2S2/c1-4-5-6-13-7-8-16-17(10-13)29-21(23-16)25-20(28)24-19(26)15-11-14(22)9-12(2)18(15)27-3/h7-11H,4-6H2,1-3H3,(H2,23,24,25,26,28)