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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromanyl-4-ethoxy-benzamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-ethoxy-benzamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-bromo-4-ethoxybenzamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-ethoxybenzamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-bromo-4-ethoxy-benzamide Formula: C23H18BrN3O3S MolecularWeight: 496.37632

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3)Br

InChI

InChI=1S/C23H18BrN3O3S/c1-2-29-19-11-10-14(13-17(19)24)21(28)27-23(31)25-16-7-5-6-15(12-16)22-26-18-8-3-4-9-20(18)30-22/h3-13H,2H2,1H3,(H2,25,27,28,31)