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

Systemtic Name: 2-methanethioyl-N-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]-4-phenyl-butanamide Openeye Name: N-[(1S)-1-benzyl-2-(benzylamino)-2-oxo-ethyl]-2-methanethioyl-4-phenyl-butanamide CAS Name: 2-methanethioyl-N-[(2S)-1-oxo-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]-4-phenylbutanamide IUPAC Name: N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-2-methanethioyl-4-phenylbutanamide Traditional Name: N-[(1S)-1-benzyl-2-(benzylamino)-2-keto-ethyl]-4-phenyl-2-thioformyl-butyramide Formula: C27H28N2O2S MolecularWeight: 444.58842

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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)NCC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC(C=S)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C27H28N2O2S/c30-26(24(20-32)17-16-21-10-4-1-5-11-21)29-25(18-22-12-6-2-7-13-22)27(31)28-19-23-14-8-3-9-15-23/h1-15,20,24-25H,16-19H2,(H,28,31)(H,29,30)/t24?,25-/m0/s1