N-[[2-(5-bromanylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-butoxy-benzamide

Systemtic Name: N-[[2-(5-bromanylnaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-butoxy-benzamide Openeye Name: N-[[2-(5-bromo-1-naphthyl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-butoxy-benzamide CAS Name: N-[[[2-(5-bromo-1-naphthalenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-3-butoxybenzamide IUPAC Name: N-[[2-(5-bromonaphthalen-1-yl)-1,3-benzoxazol-5-yl]carbamothioyl]-3-butoxybenzamide Traditional Name: N-[[2-(5-bromo-1-naphthyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-3-butoxy-benzamide Formula: C29H24BrN3O3S MolecularWeight: 574.48816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=C4C=CC=C5Br

Isomeric SMILES

CCCCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=CC3=C(C=C2)OC(=N3)C4=CC=CC5=C4C=CC=C5Br

InChI

InChI=1S/C29H24BrN3O3S/c1-2-3-15-35-20-8-4-7-18(16-20)27(34)33-29(37)31-19-13-14-26-25(17-19)32-28(36-26)23-11-5-10-22-21(23)9-6-12-24(22)30/h4-14,16-17H,2-3,15H2,1H3,(H2,31,33,34,37)