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

Systemtic Name: [1-(2-diethylaminoethylamino)-9-oxidanylidene-thioxanthen-4-yl]methyl carbamate Openeye Name: [1-(2-diethylaminoethylamino)-9-oxo-thioxanthen-4-yl]methyl carbamate CAS Name: carbamic acid [1-(2-diethylaminoethylamino)-9-oxo-4-thioxanthenyl]methyl ester IUPAC Name: [1-(2-diethylaminoethylamino)-9-oxothioxanthen-4-yl]methyl carbamate Traditional Name: carbamic acid [1-(2-diethylaminoethylamino)-9-keto-thioxanthen-4-yl]methyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC1=C2C(=C(C=C1)COC(=O)N)SC3=CC=CC=C3C2=O

Isomeric SMILES

CCN(CC)CCNC1=C2C(=C(C=C1)COC(=O)N)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H25N3O3S/c1-3-24(4-2)12-11-23-16-10-9-14(13-27-21(22)26)20-18(16)19(25)15-7-5-6-8-17(15)28-20/h5-10,23H,3-4,11-13H2,1-2H3,(H2,22,26)