5-(1,3-benzothiazol-2-yl)-N-[4-(cyanomethyl)phenyl]pentanamide

Systemtic Name: 5-(1,3-benzothiazol-2-yl)-N-[4-(cyanomethyl)phenyl]pentanamide Openeye Name: 5-(1,3-benzothiazol-2-yl)-N-[4-(cyanomethyl)phenyl]pentanamide CAS Name: 5-(1,3-benzothiazol-2-yl)-N-[4-(cyanomethyl)phenyl]pentanamide IUPAC Name: 5-(1,3-benzothiazol-2-yl)-N-[4-(cyanomethyl)phenyl]pentanamide Traditional Name: 5-(1,3-benzothiazol-2-yl)-N-[4-(cyanomethyl)phenyl]valeramide Formula: C20H19N3OS MolecularWeight: 349.44936

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)NC3=CC=C(C=C3)CC#N

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCCC(=O)NC3=CC=C(C=C3)CC#N

InChI

InChI=1S/C20H19N3OS/c21-14-13-15-9-11-16(12-10-15)22-19(24)7-3-4-8-20-23-17-5-1-2-6-18(17)25-20/h1-2,5-6,9-12H,3-4,7-8,13H2,(H,22,24)