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

Systemtic Name: N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-benzamide Openeye Name: N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-benzamide CAS Name: N-[[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxybenzamide Traditional Name: N-[[2-(4-chlorophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-methoxy-benzamide Formula: C22H16ClN3O3S MolecularWeight: 437.89874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)Cl

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H16ClN3O3S/c1-28-18-5-3-2-4-16(18)20(27)26-22(30)24-15-10-11-19-17(12-15)25-21(29-19)13-6-8-14(23)9-7-13/h2-12H,1H3,(H2,24,26,27,30)