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

Systemtic Name: N-[6-[3-(naphthalen-2-ylmethylamino)pyrrolidin-1-yl]carbonyl-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Openeye Name: N-[6-[3-(2-naphthylmethylamino)pyrrolidine-1-carbonyl]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide CAS Name: N-[6-[[3-(2-naphthalenylmethylamino)-1-pyrrolidinyl]-oxomethyl]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide IUPAC Name: N-[6-[3-(naphthalen-2-ylmethylamino)pyrrolidine-1-carbonyl]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Traditional Name: N-[6-[3-(2-naphthylmethylamino)pyrrolidine-1-carbonyl]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Formula: C30H32N4O2S MolecularWeight: 512.66568

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)N4CCC(C4)NCC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)N4CCC(C4)NCC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C30H32N4O2S/c35-28(22-7-2-1-3-8-22)33-30-32-26-13-12-24(17-27(26)37-30)29(36)34-15-14-25(19-34)31-18-20-10-11-21-6-4-5-9-23(21)16-20/h4-6,9-13,16-17,22,25,31H,1-3,7-8,14-15,18-19H2,(H,32,33,35)