1-(2-diethylaminoethylamino)-4-(methylsulfanylmethyl)thioxanthen-9-one

Systemtic Name: 1-(2-diethylaminoethylamino)-4-(methylsulfanylmethyl)thioxanthen-9-one Openeye Name: 1-(2-diethylaminoethylamino)-4-(methylsulfanylmethyl)thioxanthen-9-one CAS Name: 1-(2-diethylaminoethylamino)-4-[(methylthio)methyl]-9-thioxanthenone IUPAC Name: 1-(2-diethylaminoethylamino)-4-(methylsulfanylmethyl)thioxanthen-9-one Traditional Name: 1-(2-diethylaminoethylamino)-4-[(methylthio)methyl]thioxanthen-9-one Formula: C21H26N2OS2 MolecularWeight: 386.57394

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CSC)SC3=CC=CC=C3C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CSC)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H26N2OS2/c1-4-23(5-2)13-12-22-17-11-10-15(14-25-3)21-19(17)20(24)16-8-6-7-9-18(16)26-21/h6-11,22H,4-5,12-14H2,1-3H3