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

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: 3,4-dimethoxy-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-dimethoxybenzamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-3,4-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=CC(=C(C=C3)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

InChI

InChI=1S/C21H22N4O4S2/c1-4-5-18(26)24-21-23-14-8-7-13(11-17(14)31-21)22-20(30)25-19(27)12-6-9-15(28-2)16(10-12)29-3/h6-11H,4-5H2,1-3H3,(H,23,24,26)(H2,22,25,27,30)