(2S)-4-(ethanethioylamino)-2-(phenethylamino)-N-(3-phenylphenyl)butanamide

Systemtic Name: (2S)-4-(ethanethioylamino)-2-(phenethylamino)-N-(3-phenylphenyl)butanamide Openeye Name: (2S)-4-(ethanethioylamino)-2-(phenethylamino)-N-(3-phenylphenyl)butanamide CAS Name: (2S)-2-(phenethylamino)-N-(3-phenylphenyl)-4-(1-sulfanylideneethylamino)butanamide IUPAC Name: (2S)-4-(ethanethioylamino)-2-(phenethylamino)-N-(3-phenylphenyl)butanamide Traditional Name: (2S)-2-(phenethylamino)-N-(3-phenylphenyl)-4-(thioacetylamino)butyramide Formula: C26H29N3OS MolecularWeight: 431.59296

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NCCC(C(=O)NC1=CC=CC(=C1)C2=CC=CC=C2)NCCC3=CC=CC=C3

Isomeric SMILES

CC(=S)NCC[C@@H](C(=O)NC1=CC=CC(=C1)C2=CC=CC=C2)NCCC3=CC=CC=C3

InChI

InChI=1S/C26H29N3OS/c1-20(31)27-18-16-25(28-17-15-21-9-4-2-5-10-21)26(30)29-24-14-8-13-23(19-24)22-11-6-3-7-12-22/h2-14,19,25,28H,15-18H2,1H3,(H,27,31)(H,29,30)/t25-/m0/s1