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

Systemtic Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4,5-trimethoxy-benzamide Openeye Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4,5-trimethoxy-benzamide CAS Name: N-[[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3,4,5-trimethoxybenzamide IUPAC Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3,4,5-trimethoxybenzamide Traditional Name: N-[[2-(2-bromophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3,4,5-trimethoxy-benzamide Formula: C24H20BrN3O5S MolecularWeight: 542.4017

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Br

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC=C4Br

InChI

InChI=1S/C24H20BrN3O5S/c1-30-19-10-13(11-20(31-2)21(19)32-3)22(29)28-24(34)26-14-8-9-18-17(12-14)27-23(33-18)15-6-4-5-7-16(15)25/h4-12H,1-3H3,(H2,26,28,29,34)