N-(1,3-benzothiazol-2-yl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanyl-propanamide CAS Name: N-(1,3-benzothiazol-2-yl)-2-[[4-[[(E)-1-oxo-3-phenylprop-2-enyl]amino]phenyl]thio]propanamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[4-[[(E)-3-phenylprop-2-enoyl]amino]phenyl]sulfanylpropanamide Traditional Name: N-(1,3-benzothiazol-2-yl)-2-[[4-[[(E)-3-phenylacryloyl]amino]phenyl]thio]propionamide Formula: C25H21N3O2S2 MolecularWeight: 459.58314

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=CC=C(C=C3)NC(=O)C=CC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=NC2=CC=CC=C2S1)SC3=CC=C(C=C3)NC(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H21N3O2S2/c1-17(24(30)28-25-27-21-9-5-6-10-22(21)32-25)31-20-14-12-19(13-15-20)26-23(29)16-11-18-7-3-2-4-8-18/h2-17H,1H3,(H,26,29)(H,27,28,30)/b16-11+