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

Systemtic Name: 3,5-bis(chloranyl)-4-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 3,5-dichloro-4-methoxy-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3,5-dichloro-4-methoxy-N-[[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dichloro-4-methoxy-N-[(2-pyridin-4-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 3,5-dichloro-4-methoxy-N-[[2-(4-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C21H14Cl2N4O3S MolecularWeight: 473.33186

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Cl)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Cl)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=NC=C4)Cl

InChI

InChI=1S/C21H14Cl2N4O3S/c1-29-18-14(22)8-12(9-15(18)23)19(28)27-21(31)25-13-2-3-17-16(10-13)26-20(30-17)11-4-6-24-7-5-11/h2-10H,1H3,(H2,25,27,28,31)