methyl N-(2-azanylethyl)-7-(2-azanylethylamino)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboximidate

Systemtic Name: methyl N-(2-azanylethyl)-7-(2-azanylethylamino)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboximidate Openeye Name: methyl N-(2-aminoethyl)-7-(2-aminoethylamino)-9,10,10-trioxo-thioxanthene-3-carboximidate CAS Name: N-(2-aminoethyl)-7-(2-aminoethylamino)-9,10,10-trioxo-3-thioxanthenecarboximidic acid methyl ester IUPAC Name: methyl N-(2-aminoethyl)-7-(2-aminoethylamino)-9,10,10-trioxothioxanthene-3-carboximidate Traditional Name: N-(2-aminoethyl)-7-(2-aminoethylamino)-9,10,10-triketo-thioxanthene-3-carboximidic acid methyl ester Formula: C19H22N4O4S MolecularWeight: 402.46738

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Descriptors Computed from Structure

Canonical SMILES:

COC(=NCCN)C1=CC2=C(C=C1)C(=O)C3=C(S2(=O)=O)C=CC(=C3)NCCN

Isomeric SMILES

COC(=NCCN)C1=CC2=C(C=C1)C(=O)C3=C(S2(=O)=O)C=CC(=C3)NCCN

InChI

InChI=1S/C19H22N4O4S/c1-27-19(23-9-7-21)12-2-4-14-17(10-12)28(25,26)16-5-3-13(22-8-6-20)11-15(16)18(14)24/h2-5,10-11,22H,6-9,20-21H2,1H3