methyl N-[[1-(2-diethylaminoethylamino)-7-oxidanyl-9-oxidanylidene-thioxanthen-4-yl]methyl]carbamate

Systemtic Name: methyl N-[[1-(2-diethylaminoethylamino)-7-oxidanyl-9-oxidanylidene-thioxanthen-4-yl]methyl]carbamate Openeye Name: methyl N-[[1-(2-diethylaminoethylamino)-7-hydroxy-9-oxo-thioxanthen-4-yl]methyl]carbamate CAS Name: N-[[1-(2-diethylaminoethylamino)-7-hydroxy-9-oxo-4-thioxanthenyl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[[1-(2-diethylaminoethylamino)-7-hydroxy-9-oxothioxanthen-4-yl]methyl]carbamate Traditional Name: N-[[1-(2-diethylaminoethylamino)-7-hydroxy-9-keto-thioxanthen-4-yl]methyl]carbamic acid methyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CNC(=O)OC)SC3=C(C2=O)C=C(C=C3)O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CNC(=O)OC)SC3=C(C2=O)C=C(C=C3)O

InChI

InChI=1S/C22H27N3O4S/c1-4-25(5-2)11-10-23-17-8-6-14(13-24-22(28)29-3)21-19(17)20(27)16-12-15(26)7-9-18(16)30-21/h6-9,12,23,26H,4-5,10-11,13H2,1-3H3,(H,24,28)