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

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2,6-dimethoxy-benzamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2,6-dimethoxy-benzamide CAS Name: 2,6-dimethoxy-N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2,6-dimethoxybenzamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-2,6-dimethoxy-benzamide Formula: C21H22N4O4S2 MolecularWeight: 458.55378

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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=C(C=CC=C3OC)OC

Isomeric SMILES

CCCC(=O)NC1=NC2=C(S1)C=C(C=C2)NC(=S)NC(=O)C3=C(C=CC=C3OC)OC

InChI

InChI=1S/C21H22N4O4S2/c1-4-6-17(26)24-21-23-13-10-9-12(11-16(13)31-21)22-20(30)25-19(27)18-14(28-2)7-5-8-15(18)29-3/h5,7-11H,4,6H2,1-3H3,(H,23,24,26)(H2,22,25,27,30)