methyl N-[1-(diethylamino)ethylamino]-N-(9-oxidanylidenethioxanthen-4-yl)carbamate

Systemtic Name: methyl N-[1-(diethylamino)ethylamino]-N-(9-oxidanylidenethioxanthen-4-yl)carbamate Openeye Name: methyl N-[1-(diethylamino)ethylamino]-N-(9-oxothioxanthen-4-yl)carbamate CAS Name: N-[1-(diethylamino)ethylamino]-N-(9-oxo-4-thioxanthenyl)carbamic acid methyl ester IUPAC Name: methyl N-[1-(diethylamino)ethylamino]-N-(9-oxothioxanthen-4-yl)carbamate Traditional Name: N-[1-(diethylamino)ethylamino]-N-(9-ketothioxanthen-4-yl)carbamic acid methyl ester Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(C)NN(C1=CC=CC2=C1SC3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

CCN(CC)C(C)NN(C1=CC=CC2=C1SC3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C21H25N3O3S/c1-5-23(6-2)14(3)22-24(21(26)27-4)17-12-9-11-16-19(25)15-10-7-8-13-18(15)28-20(16)17/h7-14,22H,5-6H2,1-4H3