(2S)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N-ethyl-propanamide

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N-ethyl-propanamide Openeye Name: (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N-ethyl-propanamide CAS Name: (2S)-2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-N-ethylpropanamide IUPAC Name: (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N-ethylpropanamide Traditional Name: (2S)-N-ethyl-2-(piperonylthiocarbamoylamino)propionamide Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=S)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C14H19N3O3S/c1-3-15-13(18)9(2)17-14(21)16-7-10-4-5-11-12(6-10)20-8-19-11/h4-6,9H,3,7-8H2,1-2H3,(H,15,18)(H2,16,17,21)/t9-/m0/s1