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

Systemtic Name: 2-(cyclohexylcarbonylamino)-N-[3-(naphthalen-2-ylmethylamino)propyl]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(cyclohexanecarbonylamino)-N-[3-(2-naphthylmethylamino)propyl]-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-N-[3-(2-naphthalenylmethylamino)propyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(cyclohexanecarbonylamino)-N-[3-(naphthalen-2-ylmethylamino)propyl]-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(cyclohexanecarbonylamino)-N-[3-(2-naphthylmethylamino)propyl]-1,3-benzothiazole-6-carboxamide Formula: C29H32N4O2S MolecularWeight: 500.65498

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)NCCCNCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)NCCCNCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C29H32N4O2S/c34-27(31-16-6-15-30-19-20-11-12-21-7-4-5-10-23(21)17-20)24-13-14-25-26(18-24)36-29(32-25)33-28(35)22-8-2-1-3-9-22/h4-5,7,10-14,17-18,22,30H,1-3,6,8-9,15-16,19H2,(H,31,34)(H,32,33,35)