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

Systemtic Name: 4-bromanyl-3-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]naphthalene-2-carboxamide Openeye Name: 4-bromo-3-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]naphthalene-2-carboxamide CAS Name: 4-bromo-3-methoxy-N-[[(2-phenyl-1,3-benzoxazol-5-yl)amino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 4-bromo-3-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]naphthalene-2-carboxamide Traditional Name: 4-bromo-3-methoxy-N-[(2-phenyl-1,3-benzoxazol-5-yl)thiocarbamoyl]-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=CC4=C(C=C3)OC(=N4)C5=CC=CC=C5)Br

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC4=C(C=C3)OC(=N4)C5=CC=CC=C5)Br

InChI

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