4-tert-butyl-N-[4-[[(4-heptoxyphenyl)carbonylcarbamothioylamino]carbamoyl]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[4-[[(4-heptoxyphenyl)carbonylcarbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[[(4-heptoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[[[[[(4-heptoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[[(4-heptoxybenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[[(4-heptoxybenzoyl)thiocarbamoylamino]carbamoyl]phenyl]benzamide Formula: C33H40N4O4S MolecularWeight: 588.7601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C33H40N4O4S/c1-5-6-7-8-9-22-41-28-20-14-24(15-21-28)30(39)35-32(42)37-36-31(40)25-12-18-27(19-13-25)34-29(38)23-10-16-26(17-11-23)33(2,3)4/h10-21H,5-9,22H2,1-4H3,(H,34,38)(H,36,40)(H2,35,37,39,42)