N,5-bis(1H-imidazol-5-ylmethyl)-2-(2-phenylphenyl)-3,4-dihydro-1,2,5-benzothiadiazepin-7-amine

Systemtic Name: N,5-bis(1H-imidazol-5-ylmethyl)-2-(2-phenylphenyl)-3,4-dihydro-1,2,5-benzothiadiazepin-7-amine Openeye Name: N,5-bis(1H-imidazol-5-ylmethyl)-2-(2-phenylphenyl)-3,4-dihydro-1,2,5-benzothiadiazepin-7-amine CAS Name: N,5-bis(1H-imidazol-5-ylmethyl)-2-(2-phenylphenyl)-3,4-dihydro-1,2,5-benzothiadiazepin-7-amine IUPAC Name: N,5-bis(1H-imidazol-5-ylmethyl)-2-(2-phenylphenyl)-3,4-dihydro-1,2,5-benzothiadiazepin-7-amine Traditional Name: 1H-imidazol-5-ylmethyl-[5-(1H-imidazol-5-ylmethyl)-2-(2-phenylphenyl)-3,4-dihydro-1,2,5-benzothiadiazepin-7-yl]amine Formula: C28H27N7S MolecularWeight: 493.62588

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(SC2=C(N1CC3=CN=CN3)C=C(C=C2)NCC4=CN=CN4)C5=CC=CC=C5C6=CC=CC=C6

Isomeric SMILES

C1CN(SC2=C(N1CC3=CN=CN3)C=C(C=C2)NCC4=CN=CN4)C5=CC=CC=C5C6=CC=CC=C6

InChI

InChI=1S/C28H27N7S/c1-2-6-21(7-3-1)25-8-4-5-9-26(25)35-13-12-34(18-24-16-30-20-33-24)27-14-22(10-11-28(27)36-35)31-17-23-15-29-19-32-23/h1-11,14-16,19-20,31H,12-13,17-18H2,(H,29,32)(H,30,33)