N-[(1S,2S)-2-(tert-butylcarbamothioylamino)-1,2-diphenyl-ethyl]benzamide

Systemtic Name: N-[(1S,2S)-2-(tert-butylcarbamothioylamino)-1,2-diphenyl-ethyl]benzamide Openeye Name: N-[(1S,2S)-2-(tert-butylcarbamothioylamino)-1,2-diphenyl-ethyl]benzamide CAS Name: N-[(1S,2S)-2-[[(tert-butylamino)-sulfanylidenemethyl]amino]-1,2-diphenylethyl]benzamide IUPAC Name: N-[(1S,2S)-2-(tert-butylcarbamothioylamino)-1,2-diphenylethyl]benzamide Traditional Name: N-[(1S,2S)-2-(tert-butylthiocarbamoylamino)-1,2-diphenyl-ethyl]benzamide Formula: C26H29N3OS MolecularWeight: 431.59296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)NC(=S)N[C@@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C26H29N3OS/c1-26(2,3)29-25(31)28-23(20-15-9-5-10-16-20)22(19-13-7-4-8-14-19)27-24(30)21-17-11-6-12-18-21/h4-18,22-23H,1-3H3,(H,27,30)(H2,28,29,31)/t22-,23-/m0/s1