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

Systemtic Name: 3-bromanyl-4-methoxy-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[[[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C21H15BrN4O3S MolecularWeight: 483.3378

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CN=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CN=CC=C4)Br

InChI

InChI=1S/C21H15BrN4O3S/c1-28-17-6-4-12(9-15(17)22)19(27)26-21(30)24-14-5-7-18-16(10-14)25-20(29-18)13-3-2-8-23-11-13/h2-11H,1H3,(H2,24,26,27,30)