3-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenyl-4-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenyl-4-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenyl-4-(3-pyrrolidin-1-ylsulfonylphenyl)thiazol-2-imine CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenyl-4-[3-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazolimine IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenyl-4-(3-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine Traditional Name: [3-homoveratryl-4-(3-pyrrolidinosulfonylphenyl)-4-thiazolin-2-ylidene]-phenyl-amine Formula: C29H31N3O4S2 MolecularWeight: 549.70414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2C(=CSC2=NC3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=CSC2=NC3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5)OC

InChI

InChI=1S/C29H31N3O4S2/c1-35-27-14-13-22(19-28(27)36-2)15-18-32-26(21-37-29(32)30-24-10-4-3-5-11-24)23-9-8-12-25(20-23)38(33,34)31-16-6-7-17-31/h3-5,8-14,19-21H,6-7,15-18H2,1-2H3