5-bromanyl-N-[[3-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]naphthalene-1-carboxamide

Systemtic Name: 5-bromanyl-N-[[3-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]naphthalene-1-carboxamide Openeye Name: 5-bromo-N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]naphthalene-1-carboxamide CAS Name: 5-bromo-N-[[3-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-1-naphthalenecarboxamide IUPAC Name: 5-bromo-N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]naphthalene-1-carboxamide Traditional Name: 5-bromo-N-[[3-(o-toluoylamino)phenyl]thiocarbamoyl]-1-naphthamide Formula: C26H20BrN3O2S MolecularWeight: 518.4249

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC=CC4=C3C=CC=C4Br

InChI

InChI=1S/C26H20BrN3O2S/c1-16-7-2-3-10-19(16)24(31)28-17-8-4-9-18(15-17)29-26(33)30-25(32)22-13-5-12-21-20(22)11-6-14-23(21)27/h2-15H,1H3,(H,28,31)(H2,29,30,32,33)