2-methanethioyl-N-[(2S)-1-oxidanylidene-3-phenyl-1-phenylazanyl-propan-2-yl]-4-phenyl-butanamide

Systemtic Name: 2-methanethioyl-N-[(2S)-1-oxidanylidene-3-phenyl-1-phenylazanyl-propan-2-yl]-4-phenyl-butanamide Openeye Name: N-[(1S)-2-anilino-1-benzyl-2-oxo-ethyl]-2-methanethioyl-4-phenyl-butanamide CAS Name: N-[(2S)-1-anilino-1-oxo-3-phenylpropan-2-yl]-2-methanethioyl-4-phenylbutanamide IUPAC Name: N-[(2S)-1-anilino-1-oxo-3-phenylpropan-2-yl]-2-methanethioyl-4-phenylbutanamide Traditional Name: N-[(1S)-2-anilino-1-benzyl-2-keto-ethyl]-4-phenyl-2-thioformyl-butyramide Formula: C26H26N2O2S MolecularWeight: 430.56184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C=S)C(=O)NC(CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC(C=S)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C26H26N2O2S/c29-25(22(19-31)17-16-20-10-4-1-5-11-20)28-24(18-21-12-6-2-7-13-21)26(30)27-23-14-8-3-9-15-23/h1-15,19,22,24H,16-18H2,(H,27,30)(H,28,29)/t22?,24-/m0/s1