N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-5-bromanyl-pyridine-3-carboxamide

Systemtic Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-5-bromanyl-pyridine-3-carboxamide Openeye Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]carbamothioyl]-5-bromo-pyridine-3-carboxamide CAS Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-5-bromo-3-pyridinecarboxamide IUPAC Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromopyridine-3-carboxamide Traditional Name: N-[[5-(1,3-benzothiazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-5-bromo-nicotinamide Formula: C21H15BrN4OS2 MolecularWeight: 483.404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC(=CN=C4)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3S2)NC(=S)NC(=O)C4=CC(=CN=C4)Br

InChI

InChI=1S/C21H15BrN4OS2/c1-12-6-7-13(20-24-16-4-2-3-5-18(16)29-20)9-17(12)25-21(28)26-19(27)14-8-15(22)11-23-10-14/h2-11H,1H3,(H2,25,26,27,28)