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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(cyanomethyl)phenyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(cyanomethyl)phenyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(cyanomethyl)phenyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(cyanomethyl)phenyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[4-(cyanomethyl)phenyl]propionamide Formula: C18H15N3OS MolecularWeight: 321.3962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3OS/c19-12-11-13-5-7-14(8-6-13)20-17(22)9-10-18-21-15-3-1-2-4-16(15)23-18/h1-8H,9-11H2,(H,20,22)