2-butyl-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide

Systemtic Name: 2-butyl-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1,3-bis(oxidanylidene)isoindole-5-carboxamide Openeye Name: 2-butyl-1,3-dioxo-N-[(4S)-thiochroman-4-yl]isoindoline-5-carboxamide CAS Name: 2-butyl-N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-1,3-dioxo-5-isoindolecarboxamide IUPAC Name: 2-butyl-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1,3-dioxoisoindole-5-carboxamide Traditional Name: 2-butyl-1,3-diketo-N-[(4S)-thiochroman-4-yl]isoindoline-5-carboxamide Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

CCCCN1C(=O)C2=C(C1=O)C=C(C=C2)C(=O)N[C@H]3CCSC4=CC=CC=C34

InChI

InChI=1S/C22H22N2O3S/c1-2-3-11-24-21(26)15-9-8-14(13-17(15)22(24)27)20(25)23-18-10-12-28-19-7-5-4-6-16(18)19/h4-9,13,18H,2-3,10-12H2,1H3,(H,23,25)/t18-/m0/s1