N-[4-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]phenyl]-3-chloranyl-benzamide

Systemtic Name: N-[4-[2-(4-tert-butylphenoxy)ethanoylcarbamothioylamino]phenyl]-3-chloranyl-benzamide Openeye Name: N-[4-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]phenyl]-3-chloro-benzamide CAS Name: N-[4-[[[[2-(4-tert-butylphenoxy)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]-3-chlorobenzamide IUPAC Name: N-[4-[[2-(4-tert-butylphenoxy)acetyl]carbamothioylamino]phenyl]-3-chlorobenzamide Traditional Name: N-[4-[[2-(4-tert-butylphenoxy)acetyl]thiocarbamoylamino]phenyl]-3-chloro-benzamide Formula: C26H26ClN3O3S MolecularWeight: 496.02094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)NC(=S)NC2=CC=C(C=C2)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C26H26ClN3O3S/c1-26(2,3)18-7-13-22(14-8-18)33-16-23(31)30-25(34)29-21-11-9-20(10-12-21)28-24(32)17-5-4-6-19(27)15-17/h4-15H,16H2,1-3H3,(H,28,32)(H2,29,30,31,34)