2-(cyclohexylcarbonylamino)-N-[4-(naphthalen-2-ylmethylamino)butyl]-1,3-benzothiazole-6-carboxamide

Systemtic Name: 2-(cyclohexylcarbonylamino)-N-[4-(naphthalen-2-ylmethylamino)butyl]-1,3-benzothiazole-6-carboxamide Openeye Name: 2-(cyclohexanecarbonylamino)-N-[4-(2-naphthylmethylamino)butyl]-1,3-benzothiazole-6-carboxamide CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-N-[4-(2-naphthalenylmethylamino)butyl]-1,3-benzothiazole-6-carboxamide IUPAC Name: 2-(cyclohexanecarbonylamino)-N-[4-(naphthalen-2-ylmethylamino)butyl]-1,3-benzothiazole-6-carboxamide Traditional Name: 2-(cyclohexanecarbonylamino)-N-[4-(2-naphthylmethylamino)butyl]-1,3-benzothiazole-6-carboxamide Formula: C30H34N4O2S MolecularWeight: 514.68156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)NCCCCNCC4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=NC3=C(S2)C=C(C=C3)C(=O)NCCCCNCC4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C30H34N4O2S/c35-28(32-17-7-6-16-31-20-21-12-13-22-8-4-5-11-24(22)18-21)25-14-15-26-27(19-25)37-30(33-26)34-29(36)23-9-2-1-3-10-23/h4-5,8,11-15,18-19,23,31H,1-3,6-7,9-10,16-17,20H2,(H,32,35)(H,33,34,36)