(2S)-4-(ethanethioylamino)-2-(phenethylamino)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide

Systemtic Name: (2S)-4-(ethanethioylamino)-2-(phenethylamino)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide Openeye Name: (2S)-4-(ethanethioylamino)-2-(phenethylamino)-N-[4-(4-pyridyl)thiazol-2-yl]butanamide CAS Name: (2S)-2-(phenethylamino)-N-(4-pyridin-4-yl-2-thiazolyl)-4-(1-sulfanylideneethylamino)butanamide IUPAC Name: (2S)-4-(ethanethioylamino)-2-(phenethylamino)-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)butanamide Traditional Name: (2S)-2-(phenethylamino)-N-[4-(4-pyridyl)thiazol-2-yl]-4-(thioacetylamino)butyramide Formula: C22H25N5OS2 MolecularWeight: 439.5968

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NCCC(C(=O)NC1=NC(=CS1)C2=CC=NC=C2)NCCC3=CC=CC=C3

Isomeric SMILES

CC(=S)NCC[C@@H](C(=O)NC1=NC(=CS1)C2=CC=NC=C2)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H25N5OS2/c1-16(29)24-14-10-19(25-13-7-17-5-3-2-4-6-17)21(28)27-22-26-20(15-30-22)18-8-11-23-12-9-18/h2-6,8-9,11-12,15,19,25H,7,10,13-14H2,1H3,(H,24,29)(H,26,27,28)/t19-/m0/s1