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

Systemtic Name: 4-[3-(azepan-1-ylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]-N-phenyl-1,3-thiazol-2-imine Openeye Name: 4-[3-(azepan-1-ylsulfonyl)phenyl]-N-phenyl-3-(p-tolylmethyl)thiazol-2-imine CAS Name: 4-[3-(1-azepanylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]-N-phenyl-2-thiazolimine IUPAC Name: 4-[3-(azepan-1-ylsulfonyl)phenyl]-3-[(4-methylphenyl)methyl]-N-phenyl-1,3-thiazol-2-imine Traditional Name: [4-[3-(azepan-1-ylsulfonyl)phenyl]-3-(4-methylbenzyl)-4-thiazolin-2-ylidene]-phenyl-amine Formula: C29H31N3O2S2 MolecularWeight: 517.70534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=CSC2=NC3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)N5CCCCCC5

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=CSC2=NC3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)N5CCCCCC5

InChI

InChI=1S/C29H31N3O2S2/c1-23-14-16-24(17-15-23)21-32-28(22-35-29(32)30-26-11-5-4-6-12-26)25-10-9-13-27(20-25)36(33,34)31-18-7-2-3-8-19-31/h4-6,9-17,20,22H,2-3,7-8,18-19,21H2,1H3