3-chloranyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1,3-thiazol-2-yl]benzamide

Systemtic Name: 3-chloranyl-N-[4-[4-(phenylmethyl)piperazin-1-yl]carbonyl-1,3-thiazol-2-yl]benzamide Openeye Name: N-[4-(4-benzylpiperazine-1-carbonyl)thiazol-2-yl]-3-chloro-benzamide CAS Name: 3-chloro-N-[4-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-2-thiazolyl]benzamide IUPAC Name: N-[4-(4-benzylpiperazine-1-carbonyl)-1,3-thiazol-2-yl]-3-chlorobenzamide Traditional Name: N-[4-(4-benzylpiperazine-1-carbonyl)thiazol-2-yl]-3-chloro-benzamide Formula: C22H21ClN4O2S MolecularWeight: 440.94574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CSC(=N3)NC(=O)C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CSC(=N3)NC(=O)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C22H21ClN4O2S/c23-18-8-4-7-17(13-18)20(28)25-22-24-19(15-30-22)21(29)27-11-9-26(10-12-27)14-16-5-2-1-3-6-16/h1-8,13,15H,9-12,14H2,(H,24,25,28)