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

Systemtic Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-iodanyl-benzamide Openeye Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-iodo-benzamide CAS Name: 4-iodo-N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-4-iodobenzamide Traditional Name: N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-4-iodo-benzamide Formula: C19H17IN4O2S2 MolecularWeight: 524.39835

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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)I

Isomeric SMILES

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

InChI

InChI=1S/C19H17IN4O2S2/c1-2-3-16(25)23-19-22-14-9-8-13(10-15(14)28-19)21-18(27)24-17(26)11-4-6-12(20)7-5-11/h4-10H,2-3H2,1H3,(H,22,23,25)(H2,21,24,26,27)