N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide

Systemtic Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide Openeye Name: 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]-N-[(4S)-thiochroman-4-yl]benzamide CAS Name: N-[(4S)-3,4-dihydro-2H-1-benzothiopyran-4-yl]-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]benzamide IUPAC Name: N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzamide Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]-N-[(4S)-thiochroman-4-yl]benzamide Formula: C22H22N2O2S2 MolecularWeight: 410.55228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)N[C@H]3CCSC4=CC=CC=C34

InChI

InChI=1S/C22H22N2O2S2/c1-14-18(15(2)26-24-14)13-28-21-10-6-4-8-17(21)22(25)23-19-11-12-27-20-9-5-3-7-16(19)20/h3-10,19H,11-13H2,1-2H3,(H,23,25)/t19-/m0/s1