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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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