1-(2-dimethylaminoethylamino)-7-oxidanyl-thioxanthen-9-one

Systemtic Name: 1-(2-dimethylaminoethylamino)-7-oxidanyl-thioxanthen-9-one Openeye Name: 1-(2-dimethylaminoethylamino)-7-hydroxy-thioxanthen-9-one CAS Name: 1-(2-dimethylaminoethylamino)-7-hydroxy-9-thioxanthenone IUPAC Name: 1-(2-dimethylaminoethylamino)-7-hydroxythioxanthen-9-one Traditional Name: 1-(2-dimethylaminoethylamino)-7-hydroxy-thioxanthen-9-one Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=C2C(=CC=C1)SC3=C(C2=O)C=C(C=C3)O

Isomeric SMILES

CN(C)CCNC1=C2C(=CC=C1)SC3=C(C2=O)C=C(C=C3)O

InChI

InChI=1S/C17H18N2O2S/c1-19(2)9-8-18-13-4-3-5-15-16(13)17(21)12-10-11(20)6-7-14(12)22-15/h3-7,10,18,20H,8-9H2,1-2H3