3-bromanyl-4-(3-methylbutoxy)-N-[[4-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-(3-methylbutoxy)-N-[[4-[(2-methylphenyl)carbonylamino]phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-isopentyloxy-N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-(3-methylbutoxy)-N-[[4-[[(2-methylphenyl)-oxomethyl]amino]anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-N-[[4-[(2-methylbenzoyl)amino]phenyl]carbamothioyl]-4-(3-methylbutoxy)benzamide Traditional Name: 3-bromo-4-isoamoxy-N-[[4-(o-toluoylamino)phenyl]thiocarbamoyl]benzamide Formula: C27H28BrN3O3S MolecularWeight: 554.49852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC(C)C)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)C3=CC(=C(C=C3)OCCC(C)C)Br

InChI

InChI=1S/C27H28BrN3O3S/c1-17(2)14-15-34-24-13-8-19(16-23(24)28)25(32)31-27(35)30-21-11-9-20(10-12-21)29-26(33)22-7-5-4-6-18(22)3/h4-13,16-17H,14-15H2,1-3H3,(H,29,33)(H2,30,31,32,35)