(2S)-N,3,3-trimethyl-2-(phenylcarbamothioylamino)-N-(phenylmethyl)butanamide

Systemtic Name: (2S)-N,3,3-trimethyl-2-(phenylcarbamothioylamino)-N-(phenylmethyl)butanamide Openeye Name: (2S)-N-benzyl-N,3,3-trimethyl-2-(phenylcarbamothioylamino)butanamide CAS Name: (2S)-2-[[anilino(sulfanylidene)methyl]amino]-N,3,3-trimethyl-N-(phenylmethyl)butanamide IUPAC Name: (2S)-N-benzyl-N,3,3-trimethyl-2-(phenylcarbamothioylamino)butanamide Traditional Name: (2S)-N-benzyl-N,3,3-trimethyl-2-(phenylthiocarbamoylamino)butyramide Formula: C21H27N3OS MolecularWeight: 369.52358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)N(C)CC1=CC=CC=C1)NC(=S)NC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)N(C)CC1=CC=CC=C1)NC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C21H27N3OS/c1-21(2,3)18(23-20(26)22-17-13-9-6-10-14-17)19(25)24(4)15-16-11-7-5-8-12-16/h5-14,18H,15H2,1-4H3,(H2,22,23,26)/t18-/m1/s1