4-(aminomethyl)-1-azanyl-7-bromanyl-2-(2-diethylaminoethyl)thioxanthen-9-one

Systemtic Name: 4-(aminomethyl)-1-azanyl-7-bromanyl-2-(2-diethylaminoethyl)thioxanthen-9-one Openeye Name: 1-amino-4-(aminomethyl)-7-bromo-2-(2-diethylaminoethyl)thioxanthen-9-one CAS Name: 1-amino-4-(aminomethyl)-7-bromo-2-(2-diethylaminoethyl)-9-thioxanthenone IUPAC Name: 1-amino-4-(aminomethyl)-7-bromo-2-(2-diethylaminoethyl)thioxanthen-9-one Traditional Name: 1-amino-4-(aminomethyl)-7-bromo-2-(2-diethylaminoethyl)thioxanthen-9-one Formula: C20H24BrN3OS MolecularWeight: 434.39306

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC1=CC(=C2C(=C1N)C(=O)C3=C(S2)C=CC(=C3)Br)CN

Isomeric SMILES

CCN(CC)CCC1=CC(=C2C(=C1N)C(=O)C3=C(S2)C=CC(=C3)Br)CN

InChI

InChI=1S/C20H24BrN3OS/c1-3-24(4-2)8-7-12-9-13(11-22)20-17(18(12)23)19(25)15-10-14(21)5-6-16(15)26-20/h5-6,9-10H,3-4,7-8,11,22-23H2,1-2H3