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

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: 3,4,5-trimethoxy-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-trimethoxybenzamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C22H24N4O5S2 MolecularWeight: 488.57976

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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)OC)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O5S2/c1-5-6-18(27)25-22-24-14-8-7-13(11-17(14)33-22)23-21(32)26-20(28)12-9-15(29-2)19(31-4)16(10-12)30-3/h7-11H,5-6H2,1-4H3,(H,24,25,27)(H2,23,26,28,32)