(2S)-4-(3-methylsulfanylpropylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-(3-methylsulfanylpropylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-(3-methylsulfanylpropylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[[3-(methylthio)propylamino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-(3-methylsulfanylpropylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-[3-(methylthio)propylthiocarbamoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C14H19N3O2S2 MolecularWeight: 325.44956

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N1CC(OC2=CC=CC=C21)C(=O)N

Isomeric SMILES

CSCCCNC(=S)N1C[C@H](OC2=CC=CC=C21)C(=O)N

InChI

InChI=1S/C14H19N3O2S2/c1-21-8-4-7-16-14(20)17-9-12(13(15)18)19-11-6-3-2-5-10(11)17/h2-3,5-6,12H,4,7-9H2,1H3,(H2,15,18)(H,16,20)/t12-/m0/s1