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

Systemtic Name: 4-bromanyl-N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Openeye Name: 4-bromo-N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 4-bromo-N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-bromo-N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide Traditional Name: 4-bromo-N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C25H22BrN3O2S MolecularWeight: 508.43008

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrN3O2S/c1-3-15(2)18-8-13-22-21(14-18)28-24(31-22)17-6-11-20(12-7-17)27-25(32)29-23(30)16-4-9-19(26)10-5-16/h4-15H,3H2,1-2H3,(H2,27,29,30,32)