N-[6-[4-(naphthalen-2-ylmethylamino)piperidin-1-yl]carbonyl-1,3-benzothiazol-2-yl]cyclohexanecarboxamide

Systemtic Name: N-[6-[4-(naphthalen-2-ylmethylamino)piperidin-1-yl]carbonyl-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Openeye Name: N-[6-[4-(2-naphthylmethylamino)piperidine-1-carbonyl]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide CAS Name: N-[6-[[4-(2-naphthalenylmethylamino)-1-piperidinyl]-oxomethyl]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide IUPAC Name: N-[6-[4-(naphthalen-2-ylmethylamino)piperidine-1-carbonyl]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Traditional Name: N-[6-[4-(2-naphthylmethylamino)piperidine-1-carbonyl]-1,3-benzothiazol-2-yl]cyclohexanecarboxamide Formula: C31H34N4O2S MolecularWeight: 526.69226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)N4CCC(CC4)NCC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)N4CCC(CC4)NCC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C31H34N4O2S/c36-29(23-7-2-1-3-8-23)34-31-33-27-13-12-25(19-28(27)38-31)30(37)35-16-14-26(15-17-35)32-20-21-10-11-22-6-4-5-9-24(22)18-21/h4-6,9-13,18-19,23,26,32H,1-3,7-8,14-17,20H2,(H,33,34,36)