(2R)-4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2R)-4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-methyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-N-methyl-4-(piperonylthiocarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)C1CN(C2=CC=CC=C2O1)C(=S)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CNC(=O)[C@H]1CN(C2=CC=CC=C2O1)C(=S)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N3O4S/c1-20-18(23)17-10-22(13-4-2-3-5-14(13)26-17)19(27)21-9-12-6-7-15-16(8-12)25-11-24-15/h2-8,17H,9-11H2,1H3,(H,20,23)(H,21,27)/t17-/m1/s1