3-[2-phenylimino-3-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-N,N-dipropyl-benzenesulfonamide

Systemtic Name: 3-[2-phenylimino-3-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-N,N-dipropyl-benzenesulfonamide Openeye Name: 3-[2-phenylimino-3-(3-pyridylmethyl)thiazol-4-yl]-N,N-dipropyl-benzenesulfonamide CAS Name: 3-[2-phenylimino-3-(3-pyridinylmethyl)-4-thiazolyl]-N,N-dipropylbenzenesulfonamide IUPAC Name: 3-[2-phenylimino-3-(pyridin-3-ylmethyl)-1,3-thiazol-4-yl]-N,N-dipropylbenzenesulfonamide Traditional Name: 3-[2-phenylimino-3-(3-pyridylmethyl)-4-thiazolin-4-yl]-N,N-dipropyl-benzenesulfonamide Formula: C27H30N4O2S2 MolecularWeight: 506.6827

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=CC(=C1)C2=CSC(=NC3=CC=CC=C3)N2CC4=CN=CC=C4

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=CC(=C1)C2=CSC(=NC3=CC=CC=C3)N2CC4=CN=CC=C4

InChI

InChI=1S/C27H30N4O2S2/c1-3-16-30(17-4-2)35(32,33)25-14-8-11-23(18-25)26-21-34-27(29-24-12-6-5-7-13-24)31(26)20-22-10-9-15-28-19-22/h5-15,18-19,21H,3-4,16-17,20H2,1-2H3