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

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-3-methyl-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[[[2-(1-oxopropylamino)-1,3-benzothiazol-6-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[[2-(propanoylamino)-1,3-benzothiazol-6-yl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[(2-propionamido-1,3-benzothiazol-6-yl)thiocarbamoyl]benzamide Formula: C20H19BrN4O3S2 MolecularWeight: 507.42386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN4O3S2/c1-4-16(26)24-20-23-14-6-5-12(9-15(14)30-20)22-19(29)25-18(27)13-8-11(21)7-10(2)17(13)28-3/h5-9H,4H2,1-3H3,(H,23,24,26)(H2,22,25,27,29)