N-[3-(1,3-benzothiazol-2-yl)-5-(3-phenylpropanoylamino)phenyl]-3-phenyl-propanamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-5-(3-phenylpropanoylamino)phenyl]-3-phenyl-propanamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-5-(3-phenylpropanoylamino)phenyl]-3-phenyl-propanamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-5-[(1-oxo-3-phenylpropyl)amino]phenyl]-3-phenylpropanamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-5-(3-phenylpropanoylamino)phenyl]-3-phenylpropanamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-5-(hydrocinnamoylamino)phenyl]-3-phenyl-propionamide Formula: C31H27N3O2S MolecularWeight: 505.62998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=CC(=CC(=C2)C3=NC4=CC=CC=C4S3)NC(=O)CCC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=CC(=CC(=C2)C3=NC4=CC=CC=C4S3)NC(=O)CCC5=CC=CC=C5

InChI

InChI=1S/C31H27N3O2S/c35-29(17-15-22-9-3-1-4-10-22)32-25-19-24(31-34-27-13-7-8-14-28(27)37-31)20-26(21-25)33-30(36)18-16-23-11-5-2-6-12-23/h1-14,19-21H,15-18H2,(H,32,35)(H,33,36)