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

Systemtic Name: 5-bromanyl-N-[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-2-methoxy-N-[[3-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-N-[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[3-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-2-methoxy-N-[[3-(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(=CC=C3)NC(=S)NC(=O)C4=C(C=CC(=C4)Br)OC

Isomeric SMILES

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

InChI

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