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

Systemtic Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanyl-propanamide Openeye Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanyl-propanamide CAS Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-(phenylthio)propanamide IUPAC Name: N-(6-acetamido-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-3-phenylsulfanylpropanamide Traditional Name: N-(6-acetamido-3-propargyl-1,3-benzothiazol-2-ylidene)-3-(phenylthio)propionamide Formula: C21H19N3O2S2 MolecularWeight: 409.52446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=CC=C3)S2)CC#C

Isomeric SMILES

CC(=O)NC1=CC2=C(C=C1)N(C(=NC(=O)CCSC3=CC=CC=C3)S2)CC#C

InChI

InChI=1S/C21H19N3O2S2/c1-3-12-24-18-10-9-16(22-15(2)25)14-19(18)28-21(24)23-20(26)11-13-27-17-7-5-4-6-8-17/h1,4-10,14H,11-13H2,2H3,(H,22,25)