N-[(2S)-5-methylhexan-2-yl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide

Systemtic Name: N-[(2S)-5-methylhexan-2-yl]-9,10,10-tris(oxidanylidene)thioxanthene-3-carboxamide Openeye Name: N-[(1S)-1,4-dimethylpentyl]-9,10,10-trioxo-thioxanthene-3-carboxamide CAS Name: N-[(2S)-5-methylhexan-2-yl]-9,10,10-trioxo-3-thioxanthenecarboxamide IUPAC Name: N-[(2S)-5-methylhexan-2-yl]-9,10,10-trioxothioxanthene-3-carboxamide Traditional Name: N-[(1S)-1,4-dimethylpentyl]-9,10,10-triketo-thioxanthene-3-carboxamide Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C)NC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

Isomeric SMILES

C[C@@H](CCC(C)C)NC(=O)C1=CC2=C(C=C1)C(=O)C3=CC=CC=C3S2(=O)=O

InChI

InChI=1S/C21H23NO4S/c1-13(2)8-9-14(3)22-21(24)15-10-11-17-19(12-15)27(25,26)18-7-5-4-6-16(18)20(17)23/h4-7,10-14H,8-9H2,1-3H3,(H,22,24)/t14-/m0/s1