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

Systemtic Name: 5-bromanyl-N-[[2-(5-chloranylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[[2-(5-chloro-1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[[2-(5-chloro-1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[[2-(5-chloronaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-N-[[2-(5-chloro-1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C27H19BrClN3O3S MolecularWeight: 580.88006

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=C4C=CC=C5Cl)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=C4C=CC=C5Cl)OC

InChI

InChI=1S/C27H19BrClN3O3S/c1-14-11-15(28)12-20(24(14)34-2)25(33)32-27(36)30-16-9-10-23-22(13-16)31-26(35-23)19-7-3-6-18-17(19)5-4-8-21(18)29/h3-13H,1-2H3,(H2,30,32,33,36)