N-[1-[2-(dibutylamino)ethylamino]-9-oxidanylidene-thioxanthen-4-yl]benzenesulfonamide chloride

Systemtic Name: N-[1-[2-(dibutylamino)ethylamino]-9-oxidanylidene-thioxanthen-4-yl]benzenesulfonamide chloride Openeye Name: N-[1-[2-(dibutylamino)ethylamino]-9-oxo-thioxanthen-4-yl]benzenesulfonamide chloride CAS Name: N-[1-[2-(dibutylamino)ethylamino]-9-oxo-4-thioxanthenyl]benzenesulfonamide chloride IUPAC Name: N-[1-[2-(dibutylamino)ethylamino]-9-oxothioxanthen-4-yl]benzenesulfonamide chloride Traditional Name: N-[1-[2-(dibutylamino)ethylamino]-9-keto-thioxanthen-4-yl]benzenesulfonamide chloride Formula: C29H35ClN3O3S2- MolecularWeight: 573.1895

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)CCNC1=C2C(=C(C=C1)NS(=O)(=O)C3=CC=CC=C3)SC4=CC=CC=C4C2=O.[Cl-]

Isomeric SMILES

CCCCN(CCCC)CCNC1=C2C(=C(C=C1)NS(=O)(=O)C3=CC=CC=C3)SC4=CC=CC=C4C2=O.[Cl-]

InChI

InChI=1S/C29H35N3O3S2.ClH/c1-3-5-19-32(20-6-4-2)21-18-30-24-16-17-25(31-37(34,35)22-12-8-7-9-13-22)29-27(24)28(33)23-14-10-11-15-26(23)36-29;/h7-17,30-31H,3-6,18-21H2,1-2H3;1H/p-1