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

Systemtic Name: (2R)-4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2R)-4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2R)-4-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2R)-4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2R)-4-(piperonylthiocarbamoyl)-N-propyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C21H23N3O4S MolecularWeight: 413.49002

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4S/c1-2-9-22-20(25)19-12-24(15-5-3-4-6-16(15)28-19)21(29)23-11-14-7-8-17-18(10-14)27-13-26-17/h3-8,10,19H,2,9,11-13H2,1H3,(H,22,25)(H,23,29)/t19-/m1/s1