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

Systemtic Name: 3,5-bis(bromanyl)-2-methoxy-N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Openeye Name: 3,5-dibromo-2-methoxy-N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]benzamide CAS Name: 3,5-dibromo-2-methoxy-N-[[[2-(1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]benzamide IUPAC Name: 3,5-dibromo-2-methoxy-N-[(2-naphthalen-1-yl-1,3-benzoxazol-5-yl)carbamothioyl]benzamide Traditional Name: 3,5-dibromo-2-methoxy-N-[[2-(1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]benzamide Formula: C26H17Br2N3O3S MolecularWeight: 611.30448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=CC=CC=C54)Br)Br

Isomeric SMILES

COC1=C(C=C(C=C1C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=CC=CC=C54)Br)Br

InChI

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