7-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]-9-oxidanylidene-thioxanthene-3-carboxamide

Systemtic Name: 7-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]-9-oxidanylidene-thioxanthene-3-carboxamide Openeye Name: 7-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]-9-oxo-thioxanthene-3-carboxamide CAS Name: 7-methyl-N-[3-[(2-methyl-1-oxoprop-2-enyl)amino]propyl]-9-oxo-3-thioxanthenecarboxamide IUPAC Name: 7-methyl-N-[3-(2-methylprop-2-enoylamino)propyl]-9-oxothioxanthene-3-carboxamide Traditional Name: 9-keto-N-(3-methacrylamidopropyl)-7-methyl-thioxanthene-3-carboxamide Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C(=O)NCCCNC(=O)C(=C)C

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C(=O)NCCCNC(=O)C(=C)C

InChI

InChI=1S/C22H22N2O3S/c1-13(2)21(26)23-9-4-10-24-22(27)15-6-7-16-19(12-15)28-18-8-5-14(3)11-17(18)20(16)25/h5-8,11-12H,1,4,9-10H2,2-3H3,(H,23,26)(H,24,27)