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

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-phenyl-3-(phenylmethyl)-1,3-thiazol-2-imine Openeye Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-benzyl-N-phenyl-thiazol-2-imine CAS Name: 4-[4-(1-azepanylsulfonyl)phenyl]-N-phenyl-3-(phenylmethyl)-2-thiazolimine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-benzyl-N-phenyl-1,3-thiazol-2-imine Traditional Name: [4-[4-(azepan-1-ylsulfonyl)phenyl]-3-benzyl-4-thiazolin-2-ylidene]-phenyl-amine Formula: C28H29N3O2S2 MolecularWeight: 503.67876

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=NC4=CC=CC=C4)N3CC5=CC=CC=C5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=NC4=CC=CC=C4)N3CC5=CC=CC=C5

InChI

InChI=1S/C28H29N3O2S2/c32-35(33,30-19-9-1-2-10-20-30)26-17-15-24(16-18-26)27-22-34-28(29-25-13-7-4-8-14-25)31(27)21-23-11-5-3-6-12-23/h3-8,11-18,22H,1-2,9-10,19-21H2