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

Systemtic Name: 3-bromanyl-N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-4-methoxy-N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-4-methoxy-N-[[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]benzamide Formula: C26H24BrN3O3S MolecularWeight: 538.45606

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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)OC)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)OC)Br

InChI

InChI=1S/C26H24BrN3O3S/c1-4-15(2)17-7-12-23-21(14-17)29-25(33-23)16-5-9-19(10-6-16)28-26(34)30-24(31)18-8-11-22(32-3)20(27)13-18/h5-15H,4H2,1-3H3,(H2,28,30,31,34)