N-[6-[3-(naphthalen-2-ylmethylamino)azetidin-1-yl]carbonyl-1,3-benzothiazol-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[6-[3-(naphthalen-2-ylmethylamino)azetidin-1-yl]carbonyl-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Openeye Name: N-[6-[3-(2-naphthylmethylamino)azetidine-1-carbonyl]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide CAS Name: N-[6-[[3-(2-naphthalenylmethylamino)-1-azetidinyl]-oxomethyl]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide IUPAC Name: N-[6-[3-(naphthalen-2-ylmethylamino)azetidine-1-carbonyl]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Traditional Name: N-[6-[3-(2-naphthylmethylamino)azetidine-1-carbonyl]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Formula: C29H30N4O2S MolecularWeight: 498.6391

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)N4CC(C4)NCC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)N4CC(C4)NCC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C29H30N4O2S/c34-27(21-7-2-1-3-8-21)32-29-31-25-13-12-23(15-26(25)36-29)28(35)33-17-24(18-33)30-16-19-10-11-20-6-4-5-9-22(20)14-19/h4-6,9-15,21,24,30H,1-3,7-8,16-18H2,(H,31,32,34)