N-(1-azanyl-7-bromanyl-9-oxidanylidene-thioxanthen-4-yl)-3-(diethylamino)-N-methyl-propane-1-sulfonamide

Systemtic Name: N-(1-azanyl-7-bromanyl-9-oxidanylidene-thioxanthen-4-yl)-3-(diethylamino)-N-methyl-propane-1-sulfonamide Openeye Name: N-(1-amino-7-bromo-9-oxo-thioxanthen-4-yl)-3-(diethylamino)-N-methyl-propane-1-sulfonamide CAS Name: N-(1-amino-7-bromo-9-oxo-4-thioxanthenyl)-3-(diethylamino)-N-methyl-1-propanesulfonamide IUPAC Name: N-(1-amino-7-bromo-9-oxothioxanthen-4-yl)-3-(diethylamino)-N-methylpropane-1-sulfonamide Traditional Name: N-(1-amino-7-bromo-9-keto-thioxanthen-4-yl)-3-(diethylamino)-N-methyl-propane-1-sulfonamide Formula: C21H26BrN3O3S2 MolecularWeight: 512.48344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCS(=O)(=O)N(C)C1=C2C(=C(C=C1)N)C(=O)C3=C(S2)C=CC(=C3)Br

Isomeric SMILES

CCN(CC)CCCS(=O)(=O)N(C)C1=C2C(=C(C=C1)N)C(=O)C3=C(S2)C=CC(=C3)Br

InChI

InChI=1S/C21H26BrN3O3S2/c1-4-25(5-2)11-6-12-30(27,28)24(3)17-9-8-16(23)19-20(26)15-13-14(22)7-10-18(15)29-21(17)19/h7-10,13H,4-6,11-12,23H2,1-3H3