3,5-bis(bromanyl)-N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 3,5-bis(bromanyl)-N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 3,5-dibromo-N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2-methoxy-benzamide CAS Name: 3,5-dibromo-2-methoxy-N-[[[2-(1-oxobutylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dibromo-N-[[2-(butanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]-2-methoxybenzamide Traditional Name: 3,5-dibromo-N-[(2-butyramido-1,3-benzothiazol-6-yl)thiocarbamoyl]-2-methoxy-benzamide Formula: C20H18Br2N4O3S2 MolecularWeight: 586.31992

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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(=C3OC)Br)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H18Br2N4O3S2/c1-3-4-16(27)25-20-24-14-6-5-11(9-15(14)31-20)23-19(30)26-18(28)12-7-10(21)8-13(22)17(12)29-2/h5-9H,3-4H2,1-2H3,(H,24,25,27)(H2,23,26,28,30)