N-[4-[2-(1-adamantyl)ethanoylcarbamothioylamino]phenyl]-4-tert-butyl-benzamide

Systemtic Name: N-[4-[2-(1-adamantyl)ethanoylcarbamothioylamino]phenyl]-4-tert-butyl-benzamide Openeye Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]-4-tert-butyl-benzamide CAS Name: N-[4-[[[[2-(1-adamantyl)-1-oxoethyl]amino]-sulfanylidenemethyl]amino]phenyl]-4-tert-butylbenzamide IUPAC Name: N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]phenyl]-4-tert-butylbenzamide Traditional Name: N-[4-[[2-(1-adamantyl)acetyl]thiocarbamoylamino]phenyl]-4-tert-butyl-benzamide Formula: C30H37N3O2S MolecularWeight: 503.69868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)NC(=S)NC(=O)CC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C30H37N3O2S/c1-29(2,3)23-6-4-22(5-7-23)27(35)31-24-8-10-25(11-9-24)32-28(36)33-26(34)18-30-15-19-12-20(16-30)14-21(13-19)17-30/h4-11,19-21H,12-18H2,1-3H3,(H,31,35)(H2,32,33,34,36)