S-(2-dimethylaminoethyl) 9,9-dimethylacridine-10-carbothioate; ethanesulfonic acid

Systemtic Name: S-(2-dimethylaminoethyl) 9,9-dimethylacridine-10-carbothioate; ethanesulfonic acid Openeye Name: S-(2-dimethylaminoethyl) 9,9-dimethylacridine-10-carbothioate; ethanesulfonic acid CAS Name: 9,9-dimethyl-10-acridinecarbothioic acid S-(2-dimethylaminoethyl) ester; ethanesulfonic acid IUPAC Name: S-(2-dimethylaminoethyl) 9,9-dimethylacridine-10-carbothioate; ethanesulfonic acid Traditional Name: 9,9-dimethylacridine-10-carbothioic acid S-(2-dimethylaminoethyl) ester; esylic acid Formula: C22H30N2O4S2 MolecularWeight: 450.6146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)O.CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)SCCN(C)C)C

Isomeric SMILES

CCS(=O)(=O)O.CC1(C2=CC=CC=C2N(C3=CC=CC=C31)C(=O)SCCN(C)C)C

InChI

InChI=1S/C20H24N2OS.C2H6O3S/c1-20(2)15-9-5-7-11-17(15)22(18-12-8-6-10-16(18)20)19(23)24-14-13-21(3)4;1-2-6(3,4)5/h5-12H,13-14H2,1-4H3;2H2,1H3,(H,3,4,5)