N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2,2-dimethyl-propanamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2,2-dimethyl-propanamide CAS Name: 2,2-dimethyl-N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2,2-dimethylpropanamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-2,2-dimethyl-propionamide Formula: C17H22N4O2S2 MolecularWeight: 378.51218

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O2S2/c1-5-6-13(22)20-16-19-11-8-7-10(9-12(11)25-16)18-15(24)21-14(23)17(2,3)4/h7-9H,5-6H2,1-4H3,(H,19,20,22)(H2,18,21,23,24)