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

Systemtic Name: 1-azanyl-4-(1-azanylethyl)-7-bromanyl-2-(2-diethylaminoethyl)thioxanthen-9-one Openeye Name: 1-amino-4-(1-aminoethyl)-7-bromo-2-(2-diethylaminoethyl)thioxanthen-9-one CAS Name: 1-amino-4-(1-aminoethyl)-7-bromo-2-(2-diethylaminoethyl)-9-thioxanthenone IUPAC Name: 1-amino-4-(1-aminoethyl)-7-bromo-2-(2-diethylaminoethyl)thioxanthen-9-one Traditional Name: 1-amino-4-(1-aminoethyl)-7-bromo-2-(2-diethylaminoethyl)thioxanthen-9-one Formula: C21H26BrN3OS MolecularWeight: 448.41964

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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)C(C)N

Isomeric SMILES

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

InChI

InChI=1S/C21H26BrN3OS/c1-4-25(5-2)9-8-13-10-15(12(3)23)21-18(19(13)24)20(26)16-11-14(22)6-7-17(16)27-21/h6-7,10-12H,4-5,8-9,23-24H2,1-3H3