2-(cyclohexylcarbonylamino)-N-[2-(naphthalen-2-ylmethylamino)ethyl]-1,3-benzothiazole-7-carboxamide

Systemtic Name: 2-(cyclohexylcarbonylamino)-N-[2-(naphthalen-2-ylmethylamino)ethyl]-1,3-benzothiazole-7-carboxamide Openeye Name: 2-(cyclohexanecarbonylamino)-N-[2-(2-naphthylmethylamino)ethyl]-1,3-benzothiazole-7-carboxamide CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-N-[2-(2-naphthalenylmethylamino)ethyl]-1,3-benzothiazole-7-carboxamide IUPAC Name: 2-(cyclohexanecarbonylamino)-N-[2-(naphthalen-2-ylmethylamino)ethyl]-1,3-benzothiazole-7-carboxamide Traditional Name: 2-(cyclohexanecarbonylamino)-N-[2-(2-naphthylmethylamino)ethyl]-1,3-benzothiazole-7-carboxamide Formula: C28H30N4O2S MolecularWeight: 486.6284

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=NC3=CC=CC(=C3S2)C(=O)NCCNCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=NC3=CC=CC(=C3S2)C(=O)NCCNCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H30N4O2S/c33-26(21-8-2-1-3-9-21)32-28-31-24-12-6-11-23(25(24)35-28)27(34)30-16-15-29-18-19-13-14-20-7-4-5-10-22(20)17-19/h4-7,10-14,17,21,29H,1-3,8-9,15-16,18H2,(H,30,34)(H,31,32,33)