4-bromanyl-3-methoxy-N-[[3-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]naphthalene-2-carboxamide

Systemtic Name: 4-bromanyl-3-methoxy-N-[[3-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]naphthalene-2-carboxamide Openeye Name: 4-bromo-3-methoxy-N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]naphthalene-2-carboxamide CAS Name: 4-bromo-3-methoxy-N-[[3-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]-2-naphthalenecarboxamide IUPAC Name: 4-bromo-3-methoxy-N-[[3-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]naphthalene-2-carboxamide Traditional Name: 4-bromo-3-methoxy-N-[[3-(o-toluoylamino)phenyl]thiocarbamoyl]-2-naphthamide Formula: C27H22BrN3O3S MolecularWeight: 548.45088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C(=C3OC)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC(=CC=C2)NC(=S)NC(=O)C3=CC4=CC=CC=C4C(=C3OC)Br

InChI

InChI=1S/C27H22BrN3O3S/c1-16-8-3-5-12-20(16)25(32)29-18-10-7-11-19(15-18)30-27(35)31-26(33)22-14-17-9-4-6-13-21(17)23(28)24(22)34-2/h3-15H,1-2H3,(H,29,32)(H2,30,31,33,35)