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

Systemtic Name: 2-phenyl-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]ethanamide Openeye Name: 2-phenyl-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]acetamide CAS Name: 2-phenyl-N-[[[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: 2-phenyl-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]acetamide Traditional Name: 2-phenyl-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]acetamide Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CC(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CN=CC=C4

InChI

InChI=1S/C21H16N4O2S/c26-19(11-14-5-2-1-3-6-14)25-21(28)23-16-8-9-18-17(12-16)24-20(27-18)15-7-4-10-22-13-15/h1-10,12-13H,11H2,(H2,23,25,26,28)