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

Systemtic Name: N-[[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methyl-pentanamide Openeye Name: N-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methyl-pentanamide CAS Name: N-[[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-methylpentanamide IUPAC Name: N-[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methylpentanamide Traditional Name: N-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-methyl-valeramide Formula: C21H22BrN3O3S MolecularWeight: 476.38668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC(C)CCC(=O)NC(=S)NC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C21H22BrN3O3S/c1-12(2)4-9-19(26)25-21(29)23-14-6-8-18-16(11-14)24-20(28-18)13-5-7-17(27-3)15(22)10-13/h5-8,10-12H,4,9H2,1-3H3,(H2,23,25,26,29)