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

Systemtic Name: N-[4-[[(4-hexoxyphenyl)carbonylcarbamothioylamino]carbamoyl]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[[(4-hexoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[[(4-hexoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]-2-methylbenzamide Traditional Name: N-[4-[[(4-hexoxybenzoyl)thiocarbamoylamino]carbamoyl]phenyl]-2-methyl-benzamide Formula: C29H32N4O4S MolecularWeight: 532.65378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

InChI

InChI=1S/C29H32N4O4S/c1-3-4-5-8-19-37-24-17-13-21(14-18-24)26(34)31-29(38)33-32-27(35)22-11-15-23(16-12-22)30-28(36)25-10-7-6-9-20(25)2/h6-7,9-18H,3-5,8,19H2,1-2H3,(H,30,36)(H,32,35)(H2,31,33,34,38)