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

Systemtic Name: methyl N-(2-azanylethyl)-7-(methylamino)-9,10,10-tris(oxidanylidene)thioxanthene-3-carboximidate Openeye Name: methyl N-(2-aminoethyl)-7-(methylamino)-9,10,10-trioxo-thioxanthene-3-carboximidate CAS Name: N-(2-aminoethyl)-7-(methylamino)-9,10,10-trioxo-3-thioxanthenecarboximidic acid methyl ester IUPAC Name: methyl N-(2-aminoethyl)-7-(methylamino)-9,10,10-trioxothioxanthene-3-carboximidate Traditional Name: N-(2-aminoethyl)-9,10,10-triketo-7-(methylamino)thioxanthene-3-carboximidic acid methyl ester Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C(=NCCN)OC

Isomeric SMILES

CNC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C(=NCCN)OC

InChI

InChI=1S/C18H19N3O4S/c1-20-12-4-6-15-14(10-12)17(22)13-5-3-11(9-16(13)26(15,23)24)18(25-2)21-8-7-19/h3-6,9-10,20H,7-8,19H2,1-2H3