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

Systemtic Name: 2-methyl-N-[4-[[(4-pentoxyphenyl)carbonylcarbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 2-methyl-N-[4-[[(4-pentoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 2-methyl-N-[4-[oxo-[[[[oxo-(4-pentoxyphenyl)methyl]amino]-sulfanylidenemethyl]hydrazo]methyl]phenyl]benzamide IUPAC Name: 2-methyl-N-[4-[[(4-pentoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: N-[4-[[(4-amoxybenzoyl)thiocarbamoylamino]carbamoyl]phenyl]-2-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=C3C

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

InChI

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