N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-butoxy-benzamide

Systemtic Name: N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-butoxy-benzamide Openeye Name: N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-butoxy-benzamide CAS Name: N-[[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-butoxybenzamide IUPAC Name: N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-butoxybenzamide Traditional Name: N-[[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]-4-butoxy-benzamide Formula: C25H22BrN3O3S MolecularWeight: 524.42948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrN3O3S/c1-2-3-13-31-20-10-7-16(8-11-20)23(30)29-25(33)27-19-9-12-22-21(15-19)28-24(32-22)17-5-4-6-18(26)14-17/h4-12,14-15H,2-3,13H2,1H3,(H2,27,29,30,33)