N-[5-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,4-dihydro-2H-1,2,5-benzothiadiazepin-7-yl]cyclohexanecarboxamide

Systemtic Name: N-[5-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,4-dihydro-2H-1,2,5-benzothiadiazepin-7-yl]cyclohexanecarboxamide Openeye Name: N-[3-benzyl-5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,2,5-benzothiadiazepin-7-yl]cyclohexanecarboxamide CAS Name: N-[5-(1H-imidazol-5-ylmethyl)-3-(phenylmethyl)-3,4-dihydro-2H-1,2,5-benzothiadiazepin-7-yl]cyclohexanecarboxamide IUPAC Name: N-[3-benzyl-5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,2,5-benzothiadiazepin-7-yl]cyclohexanecarboxamide Traditional Name: N-[3-benzyl-5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-2H-1,2,5-benzothiadiazepin-7-yl]cyclohexanecarboxamide Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)SNC(CN3CC4=CN=CN4)CC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC3=C(C=C2)SNC(CN3CC4=CN=CN4)CC5=CC=CC=C5

InChI

InChI=1S/C26H31N5OS/c32-26(20-9-5-2-6-10-20)29-21-11-12-25-24(14-21)31(17-23-15-27-18-28-23)16-22(30-33-25)13-19-7-3-1-4-8-19/h1,3-4,7-8,11-12,14-15,18,20,22,30H,2,5-6,9-10,13,16-17H2,(H,27,28)(H,29,32)