(4R,5R)-3,3-dibutyl-7-(dimethylamino)-5-[4-(2-dimethylaminoethyloxy)phenyl]-1,1-bis(oxidanylidene)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol

Systemtic Name: (4R,5R)-3,3-dibutyl-7-(dimethylamino)-5-[4-(2-dimethylaminoethyloxy)phenyl]-1,1-bis(oxidanylidene)-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Openeye Name: (4R,5R)-3,3-dibutyl-7-(dimethylamino)-5-[4-(2-dimethylaminoethyloxy)phenyl]-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol CAS Name: (4R,5R)-3,3-dibutyl-7-(dimethylamino)-5-[4-(2-dimethylaminoethyloxy)phenyl]-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol IUPAC Name: (4R,5R)-3,3-dibutyl-7-(dimethylamino)-5-[4-(2-dimethylaminoethyloxy)phenyl]-1,1-dioxo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Traditional Name: (4R,5R)-3,3-dibutyl-7-(dimethylamino)-5-[4-(2-dimethylaminoethyloxy)phenyl]-1,1-diketo-4,5-dihydro-2H-1$l^{6}-benzothiepin-4-ol Formula: C30H46N2O4S MolecularWeight: 530.76224

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)C(C1O)C3=CC=C(C=C3)OCCN(C)C)CCCC

Isomeric SMILES

CCCCC1(CS(=O)(=O)C2=C(C=C(C=C2)N(C)C)[C@H]([C@H]1O)C3=CC=C(C=C3)OCCN(C)C)CCCC

InChI

InChI=1S/C30H46N2O4S/c1-7-9-17-30(18-10-8-2)22-37(34,35)27-16-13-24(32(5)6)21-26(27)28(29(30)33)23-11-14-25(15-12-23)36-20-19-31(3)4/h11-16,21,28-29,33H,7-10,17-20,22H2,1-6H3/t28-,29-/m1/s1