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

Systemtic Name: 3-bromanyl-N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[2-[(4-chlorophenyl)methyl]-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-N-[[2-(4-chlorobenzyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-methoxy-benzamide Formula: C23H17BrClN3O3S MolecularWeight: 530.82138

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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)CC4=CC=C(C=C4)Cl)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)CC4=CC=C(C=C4)Cl)Br

InChI

InChI=1S/C23H17BrClN3O3S/c1-30-19-8-4-14(11-17(19)24)22(29)28-23(32)26-16-7-9-20-18(12-16)27-21(31-20)10-13-2-5-15(25)6-3-13/h2-9,11-12H,10H2,1H3,(H2,26,28,29,32)