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

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-methyl-benzamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-methyl-benzamide CAS Name: 3-methyl-N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3-methylbenzamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-3-methyl-benzamide Formula: C20H20N4O2S2 MolecularWeight: 412.5284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C20H20N4O2S2/c1-3-5-17(25)23-20-22-15-9-8-14(11-16(15)28-20)21-19(27)24-18(26)13-7-4-6-12(2)10-13/h4,6-11H,3,5H2,1-2H3,(H,22,23,25)(H2,21,24,26,27)