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

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-N-phenyl-1,3-thiazol-2-imine Openeye Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-N-phenyl-thiazol-2-imine CAS Name: 4-[4-(1-azepanylsulfonyl)phenyl]-3-[3-(4-morpholin-4-iumyl)propyl]-N-phenyl-2-thiazolimine IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-N-phenyl-1,3-thiazol-2-imine Traditional Name: [4-[4-(azepan-1-ylsulfonyl)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)-4-thiazolin-2-ylidene]-phenyl-amine Formula: C28H37N4O3S2+ MolecularWeight: 541.74838

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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)N3CCC[NH+]5CCOCC5

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=NC4=CC=CC=C4)N3CCC[NH+]5CCOCC5

InChI

InChI=1S/C28H36N4O3S2/c33-37(34,31-16-6-1-2-7-17-31)26-13-11-24(12-14-26)27-23-36-28(29-25-9-4-3-5-10-25)32(27)18-8-15-30-19-21-35-22-20-30/h3-5,9-14,23H,1-2,6-8,15-22H2/p+1