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

Systemtic Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine Openeye Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenyl-4-[3-(1-piperidylsulfonyl)phenyl]thiazol-2-imine CAS Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenyl-4-[3-(1-piperidinylsulfonyl)phenyl]-2-thiazolimine IUPAC Name: 3-[2-(3,4-dimethoxyphenyl)ethyl]-N-phenyl-4-(3-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine Traditional Name: [3-homoveratryl-4-(3-piperidinosulfonylphenyl)-4-thiazolin-2-ylidene]-phenyl-amine Formula: C30H33N3O4S2 MolecularWeight: 563.73072

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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)N5CCCCC5)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2C(=CSC2=NC3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)N5CCCCC5)OC

InChI

InChI=1S/C30H33N3O4S2/c1-36-28-15-14-23(20-29(28)37-2)16-19-33-27(22-38-30(33)31-25-11-5-3-6-12-25)24-10-9-13-26(21-24)39(34,35)32-17-7-4-8-18-32/h3,5-6,9-15,20-22H,4,7-8,16-19H2,1-2H3