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

Systemtic Name: N-[[2-(4-bromanyl-3-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: N-[[2-(4-bromo-3-methyl-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: N-[[[2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: N-[[2-(4-bromo-3-methylphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: N-[[2-(4-bromo-3-methyl-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-2-methoxy-3-methyl-benzamide Formula: C24H20BrN3O3S MolecularWeight: 510.4029

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)Br)C

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)Br)C

InChI

InChI=1S/C24H20BrN3O3S/c1-13-5-4-6-17(21(13)30-3)22(29)28-24(32)26-16-8-10-20-19(12-16)27-23(31-20)15-7-9-18(25)14(2)11-15/h4-12H,1-3H3,(H2,26,28,29,32)