4,9-bis(2-dimethylaminoethyl)-2,6,7-trimethoxy-8-methylsulfanyl-thianthren-1-ol

Systemtic Name: 4,9-bis(2-dimethylaminoethyl)-2,6,7-trimethoxy-8-methylsulfanyl-thianthren-1-ol Openeye Name: 4,9-bis(2-dimethylaminoethyl)-2,6,7-trimethoxy-8-methylsulfanyl-thianthren-1-ol CAS Name: 4,9-bis(2-dimethylaminoethyl)-2,6,7-trimethoxy-8-(methylthio)-1-thianthrenol IUPAC Name: 4,9-bis(2-dimethylaminoethyl)-2,6,7-trimethoxy-8-methylsulfanylthianthren-1-ol Traditional Name: 4,9-bis(2-dimethylaminoethyl)-2,6,7-trimethoxy-8-(methylthio)thianthren-1-ol Formula: C24H34N2O4S3 MolecularWeight: 510.73276

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC(=C(C2=C1SC3=C(C(=C(C(=C3S2)CCN(C)C)SC)OC)OC)O)OC

Isomeric SMILES

CN(C)CCC1=CC(=C(C2=C1SC3=C(C(=C(C(=C3S2)CCN(C)C)SC)OC)OC)O)OC

InChI

InChI=1S/C24H34N2O4S3/c1-25(2)11-9-14-13-16(28-5)17(27)23-20(14)32-24-19(30-7)18(29-6)21(31-8)15(22(24)33-23)10-12-26(3)4/h13,27H,9-12H2,1-8H3