N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3,4,5-triethoxy-benzamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3,4,5-triethoxy-benzamide CAS Name: 3,4,5-triethoxy-N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-3,4,5-triethoxy-benzamide Formula: C25H30N4O5S2 MolecularWeight: 530.6595

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(=C(C(=C3)OCC)OCC)OCC

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O5S2/c1-5-9-21(30)28-25-27-17-11-10-16(14-20(17)36-25)26-24(35)29-23(31)15-12-18(32-6-2)22(34-8-4)19(13-15)33-7-3/h10-14H,5-9H2,1-4H3,(H,27,28,30)(H2,26,29,31,35)