3-bromanyl-N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylanilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methylphenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-N-[[5-(5-ethyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]thiocarbamoyl]benzamide Formula: C24H20BrN3O2S MolecularWeight: 494.4035

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=N2)C3=CC(=C(C=C3)C)NC(=S)NC(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C24H20BrN3O2S/c1-3-15-8-10-21-20(11-15)26-23(30-21)17-9-7-14(2)19(13-17)27-24(31)28-22(29)16-5-4-6-18(25)12-16/h4-13H,3H2,1-2H3,(H2,27,28,29,31)