(2R)-N-methyl-4-(3-methylsulfanylpropylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-N-methyl-4-(3-methylsulfanylpropylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-N-methyl-4-(3-methylsulfanylpropylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-N-methyl-4-[[3-(methylthio)propylamino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-N-methyl-4-(3-methylsulfanylpropylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-N-methyl-4-[3-(methylthio)propylthiocarbamoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C15H21N3O2S2 MolecularWeight: 339.47614

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=S)NCCCSC

Isomeric SMILES

CNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=S)NCCCSC

InChI

InChI=1S/C15H21N3O2S2/c1-16-14(19)13-10-18(15(21)17-8-5-9-22-2)11-6-3-4-7-12(11)20-13/h3-4,6-7,13H,5,8-10H2,1-2H3,(H,16,19)(H,17,21)/t13-/m1/s1