2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3-chloranyl-2,6-diethyl-phenyl)ethanamide

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3-chloranyl-2,6-diethyl-phenyl)ethanamide Openeye Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3-chloro-2,6-diethyl-phenyl)acetamide CAS Name: 2-[2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-N-(3-chloro-2,6-diethylphenyl)acetamide IUPAC Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-(3-chloro-2,6-diethylphenyl)acetamide Traditional Name: 2-[2-(1,3-benzothiazol-2-yl)pyrrolidino]-N-(3-chloro-2,6-diethyl-phenyl)acetamide Formula: C23H26ClN3OS MolecularWeight: 427.99004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CN2CCCC2C3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)CN2CCCC2C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H26ClN3OS/c1-3-15-11-12-17(24)16(4-2)22(15)26-21(28)14-27-13-7-9-19(27)23-25-18-8-5-6-10-20(18)29-23/h5-6,8,10-12,19H,3-4,7,9,13-14H2,1-2H3,(H,26,28)