4,10-bis(2-dimethylaminoethyl)-1,2,8-trimethoxy-3-methylsulfanyl-11H-benzo[c][1,2]benzodithiepin-7-ol

Systemtic Name: 4,10-bis(2-dimethylaminoethyl)-1,2,8-trimethoxy-3-methylsulfanyl-11H-benzo[c][1,2]benzodithiepin-7-ol Openeye Name: 4,10-bis(2-dimethylaminoethyl)-1,2,8-trimethoxy-3-methylsulfanyl-11H-benzo[c][1,2]benzodithiepin-7-ol CAS Name: 4,10-bis(2-dimethylaminoethyl)-1,2,8-trimethoxy-3-(methylthio)-11H-benzo[c][1,2]benzodithiepin-7-ol IUPAC Name: 4,10-bis(2-dimethylaminoethyl)-1,2,8-trimethoxy-3-methylsulfanyl-11H-benzo[c][1,2]benzodithiepin-7-ol Traditional Name: 4,10-bis(2-dimethylaminoethyl)-1,2,8-trimethoxy-3-(methylthio)-11H-benzo[c][1,2]benzodithiepin-7-ol Formula: C25H36N2O4S3 MolecularWeight: 524.75934

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC(=C(C2=C1CC3=C(C(=C(C(=C3SS2)CCN(C)C)SC)OC)OC)O)OC

Isomeric SMILES

CN(C)CCC1=CC(=C(C2=C1CC3=C(C(=C(C(=C3SS2)CCN(C)C)SC)OC)OC)O)OC

InChI

InChI=1S/C25H36N2O4S3/c1-26(2)11-9-15-13-19(29-5)20(28)24-17(15)14-18-21(30-6)22(31-7)25(32-8)16(10-12-27(3)4)23(18)33-34-24/h13,28H,9-12,14H2,1-8H3