N-[4-[6-(1-adamantylcarbonylamino)-1,3-benzothiazol-2-yl]phenyl]adamantane-1-carboxamide

Systemtic Name: N-[4-[6-(1-adamantylcarbonylamino)-1,3-benzothiazol-2-yl]phenyl]adamantane-1-carboxamide Openeye Name: N-[4-[6-(adamantane-1-carbonylamino)-1,3-benzothiazol-2-yl]phenyl]adamantane-1-carboxamide CAS Name: N-[4-[6-[[1-adamantyl(oxo)methyl]amino]-1,3-benzothiazol-2-yl]phenyl]-1-adamantanecarboxamide IUPAC Name: N-[4-[6-(adamantane-1-carbonylamino)-1,3-benzothiazol-2-yl]phenyl]adamantane-1-carboxamide Traditional Name: N-[4-[6-(adamantane-1-carbonylamino)-1,3-benzothiazol-2-yl]phenyl]adamantane-1-carboxamide Formula: C35H39N3O2S MolecularWeight: 565.76806

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)C5=NC6=C(S5)C=C(C=C6)NC(=O)C78CC9CC(C7)CC(C9)C8

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NC4=CC=C(C=C4)C5=NC6=C(S5)C=C(C=C6)NC(=O)C78CC9CC(C7)CC(C9)C8

InChI

InChI=1S/C35H39N3O2S/c39-32(34-14-20-7-21(15-34)9-22(8-20)16-34)36-27-3-1-26(2-4-27)31-38-29-6-5-28(13-30(29)41-31)37-33(40)35-17-23-10-24(18-35)12-25(11-23)19-35/h1-6,13,20-25H,7-12,14-19H2,(H,36,39)(H,37,40)