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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-5-bromanyl-pyridine-3-carboxamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]-5-bromo-pyridine-3-carboxamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]-5-bromo-3-pyridinecarboxamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]-5-bromopyridine-3-carboxamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]-5-bromo-nicotinamide Formula: C21H15BrN4O2S MolecularWeight: 467.3384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=CN=C2)Br)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=C(C=CC=C1NC(=S)NC(=O)C2=CC(=CN=C2)Br)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C21H15BrN4O2S/c1-12-15(20-24-17-6-2-3-8-18(17)28-20)5-4-7-16(12)25-21(29)26-19(27)13-9-14(22)11-23-10-13/h2-11H,1H3,(H2,25,26,27,29)