3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanethioamide

Systemtic Name: 3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanethioamide Openeye Name: 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanethioamide CAS Name: 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanethioamide IUPAC Name: 3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanethioamide Traditional Name: 3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)thiopropionamide Formula: C12H14N2O2S MolecularWeight: 250.31676

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=S)N

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=S)N

InChI

InChI=1S/C12H14N2O2S/c1-8-12(15)14(7-6-11(13)17)9-4-2-3-5-10(9)16-8/h2-5,8H,6-7H2,1H3,(H2,13,17)