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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

Isomeric SMILES

CCCCCCOC1=CC=CC=C1C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=CC=C3C

InChI

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