N-[6-[[2-(1-adamantylcarbonylamino)-1,3-benzothiazol-6-yl]methyl]-1,3-benzothiazol-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[6-[[2-(1-adamantylcarbonylamino)-1,3-benzothiazol-6-yl]methyl]-1,3-benzothiazol-2-yl]adamantane-1-carboxamide Openeye Name: N-[6-[[2-(adamantane-1-carbonylamino)-1,3-benzothiazol-6-yl]methyl]-1,3-benzothiazol-2-yl]adamantane-1-carboxamide CAS Name: N-[6-[[2-[[1-adamantyl(oxo)methyl]amino]-1,3-benzothiazol-6-yl]methyl]-1,3-benzothiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[6-[[2-(adamantane-1-carbonylamino)-1,3-benzothiazol-6-yl]methyl]-1,3-benzothiazol-2-yl]adamantane-1-carboxamide Traditional Name: N-[6-[[2-(adamantane-1-carbonylamino)-1,3-benzothiazol-6-yl]methyl]-1,3-benzothiazol-2-yl]adamantane-1-carboxamide Formula: C37H40N4O2S2 MolecularWeight: 636.8691

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)CC6=CC7=C(C=C6)N=C(S7)NC(=O)C89CC1CC(C8)CC(C1)C9

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=NC5=C(S4)C=C(C=C5)CC6=CC7=C(C=C6)N=C(S7)NC(=O)C89CC1CC(C8)CC(C1)C9

InChI

InChI=1S/C37H40N4O2S2/c42-32(36-14-22-6-23(15-36)8-24(7-22)16-36)40-34-38-28-3-1-20(12-30(28)44-34)5-21-2-4-29-31(13-21)45-35(39-29)41-33(43)37-17-25-9-26(18-37)11-27(10-25)19-37/h1-4,12-13,22-27H,5-11,14-19H2,(H,38,40,42)(H,39,41,43)