2-[[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[[1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[[1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[[1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 2-[[1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl]-1,1-diketo-1,2-benzothiazol-3-one Formula: C27H27N3O4S2 MolecularWeight: 521.65098

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CN3C(=O)C4=CC=CC=C4S3(=O)=O)SC5=CC=CC=C5C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CN3C(=O)C4=CC=CC=C4S3(=O)=O)SC5=CC=CC=C5C2=O

InChI

InChI=1S/C27H27N3O4S2/c1-3-29(4-2)16-15-28-21-14-13-18(26-24(21)25(31)19-9-5-7-11-22(19)35-26)17-30-27(32)20-10-6-8-12-23(20)36(30,33)34/h5-14,28H,3-4,15-17H2,1-2H3