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

Systemtic Name: N-(1-azanyl-9-oxidanylidene-thioxanthen-4-yl)-3-(diethylamino)-N-methyl-propane-1-sulfonamide Openeye Name: N-(1-amino-9-oxo-thioxanthen-4-yl)-3-(diethylamino)-N-methyl-propane-1-sulfonamide CAS Name: N-(1-amino-9-oxo-4-thioxanthenyl)-3-(diethylamino)-N-methyl-1-propanesulfonamide IUPAC Name: N-(1-amino-9-oxothioxanthen-4-yl)-3-(diethylamino)-N-methylpropane-1-sulfonamide Traditional Name: N-(1-amino-9-keto-thioxanthen-4-yl)-3-(diethylamino)-N-methyl-propane-1-sulfonamide Formula: C21H27N3O3S2 MolecularWeight: 433.58738

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCS(=O)(=O)N(C)C1=C2C(=C(C=C1)N)C(=O)C3=CC=CC=C3S2

Isomeric SMILES

CCN(CC)CCCS(=O)(=O)N(C)C1=C2C(=C(C=C1)N)C(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C21H27N3O3S2/c1-4-24(5-2)13-8-14-29(26,27)23(3)17-12-11-16(22)19-20(25)15-9-6-7-10-18(15)28-21(17)19/h6-7,9-12H,4-5,8,13-14,22H2,1-3H3