6-chloranyl-4-methyl-1-[2-[(2-methyl-2-oxidanyl-propyl)amino]ethylamino]thioxanthen-9-one

Systemtic Name: 6-chloranyl-4-methyl-1-[2-[(2-methyl-2-oxidanyl-propyl)amino]ethylamino]thioxanthen-9-one Openeye Name: 6-chloro-1-[2-[(2-hydroxy-2-methyl-propyl)amino]ethylamino]-4-methyl-thioxanthen-9-one CAS Name: 6-chloro-1-[2-[(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-methyl-9-thioxanthenone IUPAC Name: 6-chloro-1-[2-[(2-hydroxy-2-methylpropyl)amino]ethylamino]-4-methylthioxanthen-9-one Traditional Name: 6-chloro-1-[2-[(2-hydroxy-2-methyl-propyl)amino]ethylamino]-4-methyl-thioxanthen-9-one Formula: C20H23ClN2O2S MolecularWeight: 390.92682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=C1)NCCNCC(C)(C)O)C(=O)C3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

CC1=C2C(=C(C=C1)NCCNCC(C)(C)O)C(=O)C3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C20H23ClN2O2S/c1-12-4-7-15(23-9-8-22-11-20(2,3)25)17-18(24)14-6-5-13(21)10-16(14)26-19(12)17/h4-7,10,22-23,25H,8-9,11H2,1-3H3