(2S)-4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-(1,3-benzodioxol-5-ylmethylcarbamothioyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-(piperonylthiocarbamoyl)-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C18H17N3O4S MolecularWeight: 371.41028

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2N1C(=S)NCC3=CC4=C(C=C3)OCO4)C(=O)N

Isomeric SMILES

C1[C@H](OC2=CC=CC=C2N1C(=S)NCC3=CC4=C(C=C3)OCO4)C(=O)N

InChI

InChI=1S/C18H17N3O4S/c19-17(22)16-9-21(12-3-1-2-4-13(12)25-16)18(26)20-8-11-5-6-14-15(7-11)24-10-23-14/h1-7,16H,8-10H2,(H2,19,22)(H,20,26)/t16-/m0/s1