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

Systemtic Name: N-[6-[[2-(1-adamantylcarbonylamino)-1,3-benzothiazol-6-yl]sulfonyl]-1,3-benzothiazol-2-yl]adamantane-1-carboxamide Openeye Name: N-[6-[[2-(adamantane-1-carbonylamino)-1,3-benzothiazol-6-yl]sulfonyl]-1,3-benzothiazol-2-yl]adamantane-1-carboxamide CAS Name: N-[6-[[2-[[1-adamantyl(oxo)methyl]amino]-1,3-benzothiazol-6-yl]sulfonyl]-1,3-benzothiazol-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[6-[[2-(adamantane-1-carbonylamino)-1,3-benzothiazol-6-yl]sulfonyl]-1,3-benzothiazol-2-yl]adamantane-1-carboxamide Traditional Name: N-[6-[[2-(adamantane-1-carbonylamino)-1,3-benzothiazol-6-yl]sulfonyl]-1,3-benzothiazol-2-yl]adamantane-1-carboxamide Formula: C36H38N4O4S3 MolecularWeight: 686.90632

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C36H38N4O4S3/c41-31(35-13-19-5-20(14-35)7-21(6-19)15-35)39-33-37-27-3-1-25(11-29(27)45-33)47(43,44)26-2-4-28-30(12-26)46-34(38-28)40-32(42)36-16-22-8-23(17-36)10-24(9-22)18-36/h1-4,11-12,19-24H,5-10,13-18H2,(H,37,39,41)(H,38,40,42)