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

Systemtic Name: N-methyl-4-(2-phenylsulfanylethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: N-methyl-4-(2-phenylsulfanylethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: N-methyl-4-[[2-(phenylthio)ethylamino]-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: N-methyl-4-(2-phenylsulfanylethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: N-methyl-4-[2-(phenylthio)ethylthiocarbamoyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C19H21N3O2S2 MolecularWeight: 387.51894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S2/c1-20-18(23)17-13-22(15-9-5-6-10-16(15)24-17)19(25)21-11-12-26-14-7-3-2-4-8-14/h2-10,17H,11-13H2,1H3,(H,20,23)(H,21,25)