N,2-diethyl-1-oxidanylidene-5-phenethyloxy-4-propylsulfonyl-2H-1,3-benzothiazol-3-amine

Systemtic Name: N,2-diethyl-1-oxidanylidene-5-phenethyloxy-4-propylsulfonyl-2H-1,3-benzothiazol-3-amine Openeye Name: N,2-diethyl-1-oxo-5-phenethyloxy-4-propylsulfonyl-2H-1,3-benzothiazol-3-amine CAS Name: N,2-diethyl-1-oxo-5-phenethyloxy-4-propylsulfonyl-2H-1,3-benzothiazol-3-amine IUPAC Name: N,2-diethyl-1-oxo-5-phenethyloxy-4-propylsulfonyl-2H-1,3-benzothiazol-3-amine Traditional Name: ethyl-(2-ethyl-1-keto-5-phenethyloxy-4-propylsulfonyl-2H-1,3-benzothiazol-3-yl)amine Formula: C22H30N2O4S2 MolecularWeight: 450.6146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)C1=C(C=CC2=C1N(C(S2=O)CC)NCC)OCCC3=CC=CC=C3

Isomeric SMILES

CCCS(=O)(=O)C1=C(C=CC2=C1N(C(S2=O)CC)NCC)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H30N2O4S2/c1-4-16-30(26,27)22-18(28-15-14-17-10-8-7-9-11-17)12-13-19-21(22)24(23-6-3)20(5-2)29(19)25/h7-13,20,23H,4-6,14-16H2,1-3H3