N-[4-[[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]-2-methyl-benzamide

Systemtic Name: N-[4-[[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]carbamoyl]phenyl]-2-methyl-benzamide Openeye Name: N-[4-[[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-2-methyl-benzamide CAS Name: N-[4-[[[[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]-2-methylbenzamide IUPAC Name: N-[4-[[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]carbamoyl]phenyl]-2-methylbenzamide Traditional Name: N-[4-[[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]carbamoyl]phenyl]-2-methyl-benzamide Formula: C28H30N4O4S MolecularWeight: 518.6272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)COC3=CC=C(C=C3)C(C)(C)C

InChI

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