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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromanyl-4-methoxy-benzamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxy-benzamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-3-bromo-4-methoxybenzamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-3-bromo-4-methoxybenzamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-3-bromo-4-methoxy-benzamide Formula: C22H16BrN3O3S MolecularWeight: 482.34974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NC4=CC=CC=C4O3)Br

InChI

InChI=1S/C22H16BrN3O3S/c1-28-18-10-9-13(12-16(18)23)20(27)26-22(30)24-15-6-4-5-14(11-15)21-25-17-7-2-3-8-19(17)29-21/h2-12H,1H3,(H2,24,26,27,30)