3-bromanyl-N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]amino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[2-(4-ethoxyphenyl)-1,3-benzoxazol-5-yl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-4-methoxy-N-[(2-p-phenetyl-1,3-benzoxazol-5-yl)thiocarbamoyl]benzamide Formula: C24H20BrN3O4S MolecularWeight: 526.4023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=S)NC(=O)C4=CC(=C(C=C4)OC)Br

InChI

InChI=1S/C24H20BrN3O4S/c1-3-31-17-8-4-14(5-9-17)23-27-19-13-16(7-11-21(19)32-23)26-24(33)28-22(29)15-6-10-20(30-2)18(25)12-15/h4-13H,3H2,1-2H3,(H2,26,28,29,33)