1,3-bis(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-morpholin-4-ylsulfonyl-benzimidazole-2-thione

Systemtic Name: 1,3-bis(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-morpholin-4-ylsulfonyl-benzimidazole-2-thione Openeye Name: 1,3-bis(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-morpholinosulfonyl-benzimidazole-2-thione CAS Name: 1,3-bis(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-(4-morpholinylsulfonyl)-2-benzimidazolethione IUPAC Name: 1,3-bis(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-morpholin-4-ylsulfonylbenzimidazole-2-thione Traditional Name: 1,3-bis(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-morpholinosulfonyl-benzimidazole-2-thione Formula: C31H35N5O3S2 MolecularWeight: 589.7713

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CN3C4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)N(C3=S)CN6CCC7=CC=CC=C7C6

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CN3C4=C(C=C(C=C4)S(=O)(=O)N5CCOCC5)N(C3=S)CN6CCC7=CC=CC=C7C6

InChI

InChI=1S/C31H35N5O3S2/c37-41(38,34-15-17-39-18-16-34)28-9-10-29-30(19-28)36(23-33-14-12-25-6-2-4-8-27(25)21-33)31(40)35(29)22-32-13-11-24-5-1-3-7-26(24)20-32/h1-10,19H,11-18,20-23H2