N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-thiochroman-4-yl-propanamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: 3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)-N-thiochroman-4-yl-propionamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3CCSC4=CC=CC=C34

InChI

InChI=1S/C21H22N2O3S/c1-14-21(25)23(17-7-3-4-8-18(17)26-14)12-10-20(24)22-16-11-13-27-19-9-5-2-6-15(16)19/h2-9,14,16H,10-13H2,1H3,(H,22,24)