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

Systemtic Name: 2-butoxy-N-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]benzamide Openeye Name: 2-butoxy-N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide CAS Name: 2-butoxy-N-[[[[4-[[(3-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 2-butoxy-N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]benzamide Traditional Name: 2-butoxy-N-[[[4-(m-toluoylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C27H28N4O4S/c1-3-4-16-35-23-11-6-5-10-22(23)26(34)29-27(36)31-30-25(33)19-12-14-21(15-13-19)28-24(32)20-9-7-8-18(2)17-20/h5-15,17H,3-4,16H2,1-2H3,(H,28,32)(H,30,33)(H2,29,31,34,36)