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

Systemtic Name: N-[4-[[(4-hexoxyphenyl)carbonylcarbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide Openeye Name: N-[4-[[(4-hexoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]-3-methyl-benzamide CAS Name: N-[4-[[[[[(4-hexoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-3-methylbenzamide IUPAC Name: N-[4-[[(4-hexoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]-3-methylbenzamide Traditional Name: N-[4-[[(4-hexoxybenzoyl)thiocarbamoylamino]carbamoyl]phenyl]-3-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=C3)C

Isomeric SMILES

CCCCCCOC1=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/C29H32N4O4S/c1-3-4-5-6-18-37-25-16-12-21(13-17-25)26(34)31-29(38)33-32-28(36)22-10-14-24(15-11-22)30-27(35)23-9-7-8-20(2)19-23/h7-17,19H,3-6,18H2,1-2H3,(H,30,35)(H,32,36)(H2,31,33,34,38)