1-azanyl-2-(2-diethylaminoethyl)-4-(hydroxymethyl)-7-methoxy-thioxanthen-9-one

Systemtic Name: 1-azanyl-2-(2-diethylaminoethyl)-4-(hydroxymethyl)-7-methoxy-thioxanthen-9-one Openeye Name: 1-amino-2-(2-diethylaminoethyl)-4-(hydroxymethyl)-7-methoxy-thioxanthen-9-one CAS Name: 1-amino-2-(2-diethylaminoethyl)-4-(hydroxymethyl)-7-methoxy-9-thioxanthenone IUPAC Name: 1-amino-2-(2-diethylaminoethyl)-4-(hydroxymethyl)-7-methoxythioxanthen-9-one Traditional Name: 1-amino-2-(2-diethylaminoethyl)-7-methoxy-4-methylol-thioxanthen-9-one Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=CC(=C2C(=C1N)C(=O)C3=C(S2)C=CC(=C3)OC)CO

Isomeric SMILES

CCN(CC)CCC1=CC(=C2C(=C1N)C(=O)C3=C(S2)C=CC(=C3)OC)CO

InChI

InChI=1S/C21H26N2O3S/c1-4-23(5-2)9-8-13-10-14(12-24)21-18(19(13)22)20(25)16-11-15(26-3)6-7-17(16)27-21/h6-7,10-11,24H,4-5,8-9,12,22H2,1-3H3