N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenyl-propanamide

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenyl-propanamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenyl-propanamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylpropanamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-3-phenyl-propionamide Formula: C21H19N3O2S MolecularWeight: 377.45946

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)CCC3=CC=CC=C3)S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)CCC3=CC=CC=C3)S2)CC#C

InChI

InChI=1S/C21H19N3O2S/c1-3-13-24-18-11-10-17(22-15(2)25)14-19(18)27-21(24)23-20(26)12-9-16-7-5-4-6-8-16/h1,4-8,10-11,14H,9,12-13H2,2H3,(H,22,25)