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

Systemtic Name: 5-bromanyl-N-[[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-1-naphthamide Formula: C26H17Br2N3O3S MolecularWeight: 611.30448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC=CC5=C4C=CC=C5Br)Br

InChI

InChI=1S/C26H17Br2N3O3S/c1-33-22-10-8-14(12-20(22)28)25-30-21-13-15(9-11-23(21)34-25)29-26(35)31-24(32)18-6-2-5-17-16(18)4-3-7-19(17)27/h2-13H,1H3,(H2,29,31,32,35)