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

Systemtic Name: methyl N-(2-azanylethyl)-9,10,10-tris(oxidanylidene)-7-propan-2-yl-thioxanthene-3-carboximidate Openeye Name: methyl N-(2-aminoethyl)-7-isopropyl-9,10,10-trioxo-thioxanthene-3-carboximidate CAS Name: N-(2-aminoethyl)-9,10,10-trioxo-7-propan-2-yl-3-thioxanthenecarboximidic acid methyl ester IUPAC Name: methyl N-(2-aminoethyl)-9,10,10-trioxo-7-propan-2-ylthioxanthene-3-carboximidate Traditional Name: N-(2-aminoethyl)-7-isopropyl-9,10,10-triketo-thioxanthene-3-carboximidic acid methyl ester Formula: C20H22N2O4S MolecularWeight: 386.46468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O4S/c1-12(2)13-5-7-17-16(10-13)19(23)15-6-4-14(11-18(15)27(17,24)25)20(26-3)22-9-8-21/h4-7,10-12H,8-9,21H2,1-3H3