N,N-dimethyl-4-(2-phenylsulfanylethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: N,N-dimethyl-4-(2-phenylsulfanylethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N,N-dimethyl-4-(2-phenylsulfanylethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N,N-dimethyl-4-[[2-(phenylthio)ethylamino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N,N-dimethyl-4-(2-phenylsulfanylethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N,N-dimethyl-4-[2-(phenylthio)ethylthiocarbamoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CN(C2=CC=CC=C2O1)C(=S)NCCSC3=CC=CC=C3

Isomeric SMILES

CN(C)C(=O)C1CN(C2=CC=CC=C2O1)C(=S)NCCSC3=CC=CC=C3

InChI

InChI=1S/C20H23N3O2S2/c1-22(2)19(24)18-14-23(16-10-6-7-11-17(16)25-18)20(26)21-12-13-27-15-8-4-3-5-9-15/h3-11,18H,12-14H2,1-2H3,(H,21,26)