N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]propanamide

Systemtic Name: N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]propanamide Openeye Name: N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]propanamide CAS Name: N-[[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]propanamide IUPAC Name: N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]propanamide Traditional Name: N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]propionamide Formula: C16H14N4O2S MolecularWeight: 326.37296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14N4O2S/c1-2-14(21)20-16(23)18-11-3-4-13-12(9-11)19-15(22-13)10-5-7-17-8-6-10/h3-9H,2H2,1H3,(H2,18,20,21,23)