1-(chloromethyl)-2-[3-(dimethylamino)-2-oxidanyl-propoxy]-3,4-dimethyl-thioxanthen-9-one

Systemtic Name: 1-(chloromethyl)-2-[3-(dimethylamino)-2-oxidanyl-propoxy]-3,4-dimethyl-thioxanthen-9-one Openeye Name: 1-(chloromethyl)-2-[3-(dimethylamino)-2-hydroxy-propoxy]-3,4-dimethyl-thioxanthen-9-one CAS Name: 1-(chloromethyl)-2-[3-(dimethylamino)-2-hydroxypropoxy]-3,4-dimethyl-9-thioxanthenone IUPAC Name: 1-(chloromethyl)-2-[3-(dimethylamino)-2-hydroxypropoxy]-3,4-dimethylthioxanthen-9-one Traditional Name: 1-(chloromethyl)-2-[3-(dimethylamino)-2-hydroxy-propoxy]-3,4-dimethyl-thioxanthen-9-one Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2C(=C1C)SC3=CC=CC=C3C2=O)CCl)OCC(CN(C)C)O

Isomeric SMILES

CC1=C(C(=C2C(=C1C)SC3=CC=CC=C3C2=O)CCl)OCC(CN(C)C)O

InChI

InChI=1S/C21H24ClNO3S/c1-12-13(2)21-18(19(25)15-7-5-6-8-17(15)27-21)16(9-22)20(12)26-11-14(24)10-23(3)4/h5-8,14,24H,9-11H2,1-4H3