4-tert-butyl-N-[4-[[[4-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]carbamoyl]phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[4-[[[4-(3-methylbutoxy)phenyl]carbonylcarbamothioylamino]carbamoyl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[[(4-isopentyloxybenzoyl)carbamothioylamino]carbamoyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[[[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-oxomethyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[[[4-(3-methylbutoxy)benzoyl]carbamothioylamino]carbamoyl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[[(4-isoamoxybenzoyl)thiocarbamoylamino]carbamoyl]phenyl]benzamide Formula: C31H36N4O4S MolecularWeight: 560.70694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=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

CC(C)CCOC1=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/C31H36N4O4S/c1-20(2)18-19-39-26-16-10-22(11-17-26)28(37)33-30(40)35-34-29(38)23-8-14-25(15-9-23)32-27(36)21-6-12-24(13-7-21)31(3,4)5/h6-17,20H,18-19H2,1-5H3,(H,32,36)(H,34,38)(H2,33,35,37,40)