[2-(3-phenylpropanoylamino)-1,3-benzothiazol-6-yl] thiocyanate

Systemtic Name: [2-(3-phenylpropanoylamino)-1,3-benzothiazol-6-yl] thiocyanate Openeye Name: [2-(3-phenylpropanoylamino)-1,3-benzothiazol-6-yl] thiocyanate CAS Name: thiocyanic acid [2-[(1-oxo-3-phenylpropyl)amino]-1,3-benzothiazol-6-yl] ester IUPAC Name: [2-(3-phenylpropanoylamino)-1,3-benzothiazol-6-yl] thiocyanate Traditional Name: thiocyanic acid [2-(hydrocinnamoylamino)-1,3-benzothiazol-6-yl] ester Formula: C17H13N3OS2 MolecularWeight: 339.43462

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)SC#N

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=NC3=C(S2)C=C(C=C3)SC#N

InChI

InChI=1S/C17H13N3OS2/c18-11-22-13-7-8-14-15(10-13)23-17(19-14)20-16(21)9-6-12-4-2-1-3-5-12/h1-5,7-8,10H,6,9H2,(H,19,20,21)