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

Systemtic Name: (2R)-4-(2-phenylsulfanylethylcarbamothioyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-(2-phenylsulfanylethylcarbamothioyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[[2-(phenylthio)ethylamino]-sulfanylidenemethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-(2-phenylsulfanylethylcarbamothioyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-[2-(phenylthio)ethylthiocarbamoyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=S)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2S2/c1-2-12-22-20(25)19-15-24(17-10-6-7-11-18(17)26-19)21(27)23-13-14-28-16-8-4-3-5-9-16/h3-11,19H,2,12-15H2,1H3,(H,22,25)(H,23,27)/t19-/m1/s1