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

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide CAS Name: N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]benzamide Formula: C19H18N4O2S2 MolecularWeight: 398.50182

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O2S2/c1-2-6-16(24)22-19-21-14-10-9-13(11-15(14)27-19)20-18(26)23-17(25)12-7-4-3-5-8-12/h3-5,7-11H,2,6H2,1H3,(H,21,22,24)(H2,20,23,25,26)