(2S)-N-(1,3-benzothiazol-2-yl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-yl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-yl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide CAS Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-[(1-oxo-3-phenylpropyl)amino]-3-phenylpropanamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-yl)-3-phenyl-2-(3-phenylpropanoylamino)propanamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-(hydrocinnamoylamino)-3-phenyl-propionamide Formula: C25H23N3O2S MolecularWeight: 429.53402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CC2=CC=CC=C2)C(=O)NC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)NC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H23N3O2S/c29-23(16-15-18-9-3-1-4-10-18)26-21(17-19-11-5-2-6-12-19)24(30)28-25-27-20-13-7-8-14-22(20)31-25/h1-14,21H,15-17H2,(H,26,29)(H,27,28,30)/t21-/m0/s1