N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[2-(5-bromanylpyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[2-(5-bromopyridin-3-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[2-(5-bromo-3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-methyl-butyramide Formula: C18H17BrN4O2S MolecularWeight: 433.32218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=CN=C3)Br

Isomeric SMILES

CC(C)CC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=CN=C3)Br

InChI

InChI=1S/C18H17BrN4O2S/c1-10(2)5-16(24)23-18(26)21-13-3-4-15-14(7-13)22-17(25-15)11-6-12(19)9-20-8-11/h3-4,6-10H,5H2,1-2H3,(H2,21,23,24,26)