4-[3-(azepan-1-ylsulfonyl)phenyl]-N,3-diphenyl-1,3-thiazol-2-imine

Systemtic Name: 4-[3-(azepan-1-ylsulfonyl)phenyl]-N,3-diphenyl-1,3-thiazol-2-imine Openeye Name: 4-[3-(azepan-1-ylsulfonyl)phenyl]-N,3-diphenyl-thiazol-2-imine CAS Name: 4-[3-(1-azepanylsulfonyl)phenyl]-N,3-diphenyl-2-thiazolimine IUPAC Name: 4-[3-(azepan-1-ylsulfonyl)phenyl]-N,3-diphenyl-1,3-thiazol-2-imine Traditional Name: [4-[3-(azepan-1-ylsulfonyl)phenyl]-3-phenyl-4-thiazolin-2-ylidene]-phenyl-amine Formula: C27H27N3O2S2 MolecularWeight: 489.65218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=CSC(=NC4=CC=CC=C4)N3C5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C3=CSC(=NC4=CC=CC=C4)N3C5=CC=CC=C5

InChI

InChI=1S/C27H27N3O2S2/c31-34(32,29-18-9-1-2-10-19-29)25-17-11-12-22(20-25)26-21-33-27(28-23-13-5-3-6-14-23)30(26)24-15-7-4-8-16-24/h3-8,11-17,20-21H,1-2,9-10,18-19H2