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

Systemtic Name: 5-bromanyl-N-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]-2-propoxy-benzamide Openeye Name: 5-bromo-N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]-2-propoxy-benzamide CAS Name: 5-bromo-N-[[[[4-[[(3-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-propoxybenzamide IUPAC Name: 5-bromo-N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]-2-propoxybenzamide Traditional Name: 5-bromo-N-[[[4-(m-toluoylamino)benzoyl]amino]thiocarbamoyl]-2-propoxy-benzamide Formula: C26H25BrN4O4S MolecularWeight: 569.4701

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C26H25BrN4O4S/c1-3-13-35-22-12-9-19(27)15-21(22)25(34)29-26(36)31-30-24(33)17-7-10-20(11-8-17)28-23(32)18-6-4-5-16(2)14-18/h4-12,14-15H,3,13H2,1-2H3,(H,28,32)(H,30,33)(H2,29,31,34,36)