N-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloroanilino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C24H20ClN3O5S MolecularWeight: 497.9507

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C24H20ClN3O5S/c1-30-19-10-13(11-20(31-2)21(19)32-3)22(29)28-24(34)26-14-8-9-16(25)15(12-14)23-27-17-6-4-5-7-18(17)33-23/h4-12H,1-3H3,(H2,26,28,29,34)