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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C)Br

InChI

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