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

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

Isomeric SMILES

CCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

InChI

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