3-methyl-N-[4-[[(4-pentoxyphenyl)carbonylcarbamothioylamino]carbamoyl]phenyl]benzamide

Systemtic Name: 3-methyl-N-[4-[[(4-pentoxyphenyl)carbonylcarbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 3-methyl-N-[4-[[(4-pentoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 3-methyl-N-[4-[oxo-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]benzamide IUPAC Name: 3-methyl-N-[4-[[(4-pentoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: N-[4-[[(4-amoxybenzoyl)thiocarbamoylamino]carbamoyl]phenyl]-3-methyl-benzamide Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C28H30N4O4S/c1-3-4-5-17-36-24-15-11-20(12-16-24)25(33)30-28(37)32-31-27(35)21-9-13-23(14-10-21)29-26(34)22-8-6-7-19(2)18-22/h6-16,18H,3-5,17H2,1-2H3,(H,29,34)(H,31,35)(H2,30,32,33,37)