2-(3-imidazol-1-ylpropylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide

Systemtic Name: 2-(3-imidazol-1-ylpropylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide Openeye Name: 2-(3-imidazol-1-ylpropylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide CAS Name: 2-[3-(1-imidazolyl)propylamino]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide IUPAC Name: 2-(3-imidazol-1-ylpropylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Traditional Name: 2-(3-imidazol-1-ylpropylamino)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Formula: C22H23N5OS MolecularWeight: 405.51592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CNCCCN4C=CN=C4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CNCCCN4C=CN=C4

InChI

InChI=1S/C22H23N5OS/c1-16-3-8-19-20(13-16)29-22(26-19)17-4-6-18(7-5-17)25-21(28)14-23-9-2-11-27-12-10-24-15-27/h3-8,10,12-13,15,23H,2,9,11,14H2,1H3,(H,25,28)