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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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