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

Systemtic Name: N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]butanamide Openeye Name: N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]butanamide CAS Name: N-[[[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]butanamide IUPAC Name: N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]butanamide Traditional Name: N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]butyramide Formula: C17H16N4O2S MolecularWeight: 340.39954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O2S/c1-2-4-15(22)21-17(24)19-12-6-7-14-13(9-12)20-16(23-14)11-5-3-8-18-10-11/h3,5-10H,2,4H2,1H3,(H2,19,21,22,24)