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

Systemtic Name: 5-bromanyl-2-(3-methylbutoxy)-N-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 5-bromo-2-isopentyloxy-N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide CAS Name: 5-bromo-2-(3-methylbutoxy)-N-[[[[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]-2-(3-methylbutoxy)benzamide Traditional Name: 5-bromo-2-isoamoxy-N-[[[4-(o-toluoylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C28H29BrN4O4S MolecularWeight: 597.52326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H29BrN4O4S/c1-17(2)14-15-37-24-13-10-20(29)16-23(24)27(36)31-28(38)33-32-25(34)19-8-11-21(12-9-19)30-26(35)22-7-5-4-6-18(22)3/h4-13,16-17H,14-15H2,1-3H3,(H,30,35)(H,32,34)(H2,31,33,36,38)