N-[(E)-6-azanyl-5-methyl-6-oxidanylidene-hex-4-enyl]-7-methyl-9-oxidanylidene-thioxanthene-3-carboxamide

Systemtic Name: N-[(E)-6-azanyl-5-methyl-6-oxidanylidene-hex-4-enyl]-7-methyl-9-oxidanylidene-thioxanthene-3-carboxamide Openeye Name: N-[(E)-6-amino-5-methyl-6-oxo-hex-4-enyl]-7-methyl-9-oxo-thioxanthene-3-carboxamide CAS Name: N-[(E)-6-amino-5-methyl-6-oxohex-4-enyl]-7-methyl-9-oxo-3-thioxanthenecarboxamide IUPAC Name: N-[(E)-6-amino-5-methyl-6-oxohex-4-enyl]-7-methyl-9-oxothioxanthene-3-carboxamide Traditional Name: N-[(E)-6-amino-6-keto-5-methyl-hex-4-enyl]-9-keto-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)NCCCC=C(C)C(=O)N

Isomeric SMILES

CC1=CC2=C(C=C1)SC3=C(C2=O)C=CC(=C3)C(=O)NCCC/C=C(\C)/C(=O)N

InChI

InChI=1S/C22H22N2O3S/c1-13-6-9-18-17(11-13)20(25)16-8-7-15(12-19(16)28-18)22(27)24-10-4-3-5-14(2)21(23)26/h5-9,11-12H,3-4,10H2,1-2H3,(H2,23,26)(H,24,27)/b14-5+