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

Systemtic Name: N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pyridine-3-carboxamide Openeye Name: N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pyridine-3-carboxamide CAS Name: N-[[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-pyridinecarboxamide IUPAC Name: N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]pyridine-3-carboxamide Traditional Name: N-[[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]nicotinamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CN=CC=C4

Isomeric SMILES

COC1=CC=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CN=CC=C4

InChI

InChI=1S/C21H16N4O3S/c1-27-16-6-2-4-13(10-16)20-24-17-11-15(7-8-18(17)28-20)23-21(29)25-19(26)14-5-3-9-22-12-14/h2-12H,1H3,(H2,23,25,26,29)