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

Systemtic Name: N-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]-2-pentoxy-benzamide Openeye Name: N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]-2-pentoxy-benzamide CAS Name: N-[[[[4-[[(3-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-pentoxybenzamide IUPAC Name: N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]-2-pentoxybenzamide Traditional Name: 2-amoxy-N-[[[4-(m-toluoylamino)benzoyl]amino]thiocarbamoyl]benzamide Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C28H30N4O4S/c1-3-4-7-17-36-24-12-6-5-11-23(24)27(35)30-28(37)32-31-26(34)20-13-15-22(16-14-20)29-25(33)21-10-8-9-19(2)18-21/h5-6,8-16,18H,3-4,7,17H2,1-2H3,(H,29,33)(H,31,34)(H2,30,32,35,37)