N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-4-[(thiophen-3-ylmethylamino)methyl]benzamide

Systemtic Name: N-[(2S)-1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl]-4-[(thiophen-3-ylmethylamino)methyl]benzamide Openeye Name: N-[(1S)-2-amino-1-benzyl-2-oxo-ethyl]-4-[(3-thienylmethylamino)methyl]benzamide CAS Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[(3-thiophenylmethylamino)methyl]benzamide IUPAC Name: N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-4-[(thiophen-3-ylmethylamino)methyl]benzamide Traditional Name: N-[(1S)-2-amino-1-benzyl-2-keto-ethyl]-4-[(3-thenylamino)methyl]benzamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C2=CC=C(C=C2)CNCC3=CSC=C3

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N)NC(=O)C2=CC=C(C=C2)CNCC3=CSC=C3

InChI

InChI=1S/C22H23N3O2S/c23-21(26)20(12-16-4-2-1-3-5-16)25-22(27)19-8-6-17(7-9-19)13-24-14-18-10-11-28-15-18/h1-11,15,20,24H,12-14H2,(H2,23,26)(H,25,27)/t20-/m0/s1