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

Systemtic Name: 5-bromanyl-2-methoxy-3-methyl-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-methoxy-3-methyl-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 5-bromo-2-methoxy-3-methyl-N-[[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-methoxy-3-methyl-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C29H22BrN3O3S MolecularWeight: 572.47228

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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=C(C=C4)C5=CC=CC=C5)OC

Isomeric SMILES

CC1=C(C(=CC(=C1)Br)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=C(C=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C29H22BrN3O3S/c1-17-14-21(30)15-23(26(17)35-2)27(34)33-29(37)31-22-12-13-25-24(16-22)32-28(36-25)20-10-8-19(9-11-20)18-6-4-3-5-7-18/h3-16H,1-2H3,(H2,31,33,34,37)