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

Systemtic Name: 2-methyl-N-[5-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]propanamide Openeye Name: 2-methyl-N-[5-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]propanamide CAS Name: 2-methyl-N-[5-[(1-oxo-3-phenylpropyl)amino]-1,3-benzothiazol-2-yl]propanamide IUPAC Name: 2-methyl-N-[5-(3-phenylpropanoylamino)-1,3-benzothiazol-2-yl]propanamide Traditional Name: N-[5-(hydrocinnamoylamino)-1,3-benzothiazol-2-yl]-2-methyl-propionamide Formula: C20H21N3O2S MolecularWeight: 367.46464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=NC2=C(S1)C=CC(=C2)NC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(=O)NC1=NC2=C(S1)C=CC(=C2)NC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O2S/c1-13(2)19(25)23-20-22-16-12-15(9-10-17(16)26-20)21-18(24)11-8-14-6-4-3-5-7-14/h3-7,9-10,12-13H,8,11H2,1-2H3,(H,21,24)(H,22,23,25)