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

Systemtic Name: 3-bromanyl-4-methoxy-N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-methoxy-N-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3-bromo-4-methoxy-N-[[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-methoxy-N-[[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-methoxy-N-[[2-(o-tolyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C23H18BrN3O3S MolecularWeight: 496.37632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CC1=CC=CC=C1C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C23H18BrN3O3S/c1-13-5-3-4-6-16(13)22-26-18-12-15(8-10-20(18)30-22)25-23(31)27-21(28)14-7-9-19(29-2)17(24)11-14/h3-12H,1-2H3,(H2,25,27,28,31)