5-[(2-diethylaminoethylamino)methyl]-2-methoxy-thioxanthen-9-one

Systemtic Name: 5-[(2-diethylaminoethylamino)methyl]-2-methoxy-thioxanthen-9-one Openeye Name: 5-[(2-diethylaminoethylamino)methyl]-2-methoxy-thioxanthen-9-one CAS Name: 5-[(2-diethylaminoethylamino)methyl]-2-methoxy-9-thioxanthenone IUPAC Name: 5-[(2-diethylaminoethylamino)methyl]-2-methoxythioxanthen-9-one Traditional Name: 5-[(2-diethylaminoethylamino)methyl]-2-methoxy-thioxanthen-9-one Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNCC1=CC=CC2=C1SC3=C(C2=O)C=C(C=C3)OC

Isomeric SMILES

CCN(CC)CCNCC1=CC=CC2=C1SC3=C(C2=O)C=C(C=C3)OC

InChI

InChI=1S/C21H26N2O2S/c1-4-23(5-2)12-11-22-14-15-7-6-8-17-20(24)18-13-16(25-3)9-10-19(18)26-21(15)17/h6-10,13,22H,4-5,11-12,14H2,1-3H3