2-(cyclohexylcarbonylamino)-N-[5-(naphthalen-2-ylmethylamino)pentyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-(cyclohexylcarbonylamino)-N-[5-(naphthalen-2-ylmethylamino)pentyl]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(cyclohexanecarbonylamino)-N-[5-(2-naphthylmethylamino)pentyl]-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-N-[5-(2-naphthalenylmethylamino)pentyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(cyclohexanecarbonylamino)-N-[5-(naphthalen-2-ylmethylamino)pentyl]-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(cyclohexanecarbonylamino)-N-[5-(2-naphthylmethylamino)pentyl]-1,3-benzothiazole-6-carboxamide Formula: C31H36N4O2S MolecularWeight: 528.70814

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)NCCCCCNCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)NCCCCCNCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C31H36N4O2S/c36-29(33-18-8-2-7-17-32-21-22-13-14-23-9-5-6-12-25(23)19-22)26-15-16-27-28(20-26)38-31(34-27)35-30(37)24-10-3-1-4-11-24/h5-6,9,12-16,19-20,24,32H,1-4,7-8,10-11,17-18,21H2,(H,33,36)(H,34,35,37)