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

Systemtic Name: methyl N-[[1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl]carbamate Openeye Name: methyl N-[[1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl]carbamate CAS Name: N-[[1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl]carbamic acid methyl ester IUPAC Name: methyl N-[[1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl]carbamate Traditional Name: N-[[1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl]carbamic acid methyl ester Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)CNC(=O)OC)SC3=CC=CC=C3C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)CNC(=O)OC)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H27N3O3S/c1-4-25(5-2)13-12-23-17-11-10-15(14-24-22(27)28-3)21-19(17)20(26)16-8-6-7-9-18(16)29-21/h6-11,23H,4-5,12-14H2,1-3H3,(H,24,27)