3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-N-(phenylmethyl)benzamide

Systemtic Name: 3-[(4-tert-butylphenyl)carbonylcarbamothioylamino]-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-3-[(4-tert-butylbenzoyl)carbamothioylamino]benzamide CAS Name: 3-[[[[(4-tert-butylphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-3-[(4-tert-butylbenzoyl)carbamothioylamino]benzamide Traditional Name: N-benzyl-3-[(4-tert-butylbenzoyl)thiocarbamoylamino]benzamide Formula: C26H27N3O2S MolecularWeight: 445.57648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C26H27N3O2S/c1-26(2,3)21-14-12-19(13-15-21)24(31)29-25(32)28-22-11-7-10-20(16-22)23(30)27-17-18-8-5-4-6-9-18/h4-16H,17H2,1-3H3,(H,27,30)(H2,28,29,31,32)