(2S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide CAS Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]propanamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-2-[[(E)-3-phenylacryloyl]amino]propionamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)CC1=NC2=CC=CC=C2S1)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)N(C)CC1=NC2=CC=CC=C2S1)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H21N3O2S/c1-15(22-19(25)13-12-16-8-4-3-5-9-16)21(26)24(2)14-20-23-17-10-6-7-11-18(17)27-20/h3-13,15H,14H2,1-2H3,(H,22,25)/b13-12+/t15-/m0/s1