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

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine Openeye Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-N-phenyl-3-(tetrahydrofuran-2-ylmethyl)thiazol-2-imine CAS Name: 4-[4-(1-azepanylsulfonyl)phenyl]-3-(2-oxolanylmethyl)-N-phenyl-2-thiazolimine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-ylmethyl)-N-phenyl-1,3-thiazol-2-imine Traditional Name: [4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(tetrahydrofurfuryl)-4-thiazolin-2-ylidene]-phenyl-amine Formula: C26H31N3O3S2 MolecularWeight: 497.67264

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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)N3CC5CCCO5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=NC4=CC=CC=C4)N3CC5CCCO5

InChI

InChI=1S/C26H31N3O3S2/c30-34(31,28-16-6-1-2-7-17-28)24-14-12-21(13-15-24)25-20-33-26(27-22-9-4-3-5-10-22)29(25)19-23-11-8-18-32-23/h3-5,9-10,12-15,20,23H,1-2,6-8,11,16-19H2