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

Systemtic Name: 2-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]-N-methyl-N-(phenylmethyl)benzamide Openeye Name: N-benzyl-2-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]-N-methyl-benzamide CAS Name: 2-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]-N-methyl-N-(phenylmethyl)benzamide IUPAC Name: N-benzyl-2-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]-N-methylbenzamide Traditional Name: N-benzyl-2-[5-(1H-imidazol-5-ylmethyl)-3,4-dihydro-1,2,5-benzothiadiazepin-2-yl]-N-methyl-benzamide Formula: C27H27N5OS MolecularWeight: 469.60118

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2N3CCN(C4=CC=CC=C4S3)CC5=CN=CN5

Isomeric SMILES

CN(CC1=CC=CC=C1)C(=O)C2=CC=CC=C2N3CCN(C4=CC=CC=C4S3)CC5=CN=CN5

InChI

InChI=1S/C27H27N5OS/c1-30(18-21-9-3-2-4-10-21)27(33)23-11-5-6-12-24(23)32-16-15-31(19-22-17-28-20-29-22)25-13-7-8-14-26(25)34-32/h2-14,17,20H,15-16,18-19H2,1H3,(H,28,29)