N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]adamantane-1-carboxamide

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]adamantane-1-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]adamantane-1-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-adamantanecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]adamantane-1-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)-4,5,6,7-tetrahydrobenzothiophen-2-yl]adamantane-1-carboxamide Formula: C26H28N2OS2 MolecularWeight: 448.64332

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C6=NC7=CC=CC=C7S6

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)NC(=O)C34CC5CC(C3)CC(C5)C4)C6=NC7=CC=CC=C7S6

InChI

InChI=1S/C26H28N2OS2/c29-25(26-12-15-9-16(13-26)11-17(10-15)14-26)28-24-22(18-5-1-3-7-20(18)30-24)23-27-19-6-2-4-8-21(19)31-23/h2,4,6,8,15-17H,1,3,5,7,9-14H2,(H,28,29)