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

Systemtic Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-bromanyl-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-bromo-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[3-(1,3-benzoxazol-2-yl)anilino]-sulfanylidenemethyl]-4-bromo-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]carbamothioyl]-4-bromo-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[[3-(1,3-benzoxazol-2-yl)phenyl]thiocarbamoyl]-4-bromo-3-methoxy-2-naphthamide Formula: C26H18BrN3O3S MolecularWeight: 532.40842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5O4)Br

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5O4)Br

InChI

InChI=1S/C26H18BrN3O3S/c1-32-23-19(14-15-7-2-3-10-18(15)22(23)27)24(31)30-26(34)28-17-9-6-8-16(13-17)25-29-20-11-4-5-12-21(20)33-25/h2-14H,1H3,(H2,28,30,31,34)