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

Systemtic Name: 3-butoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 3-butoxy-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3-butoxy-N-[[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-butoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 3-butoxy-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C24H22N4O3S/c1-2-3-13-30-19-6-4-5-17(14-19)22(29)28-24(32)26-18-7-8-21-20(15-18)27-23(31-21)16-9-11-25-12-10-16/h4-12,14-15H,2-3,13H2,1H3,(H2,26,28,29,32)