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

Systemtic Name: (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N-propyl-propanamide Openeye Name: (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N-propyl-propanamide CAS Name: (2S)-2-[[(1,3-benzodioxol-5-ylmethylamino)-sulfanylidenemethyl]amino]-N-propylpropanamide IUPAC Name: (2S)-2-(1,3-benzodioxol-5-ylmethylcarbamothioylamino)-N-propylpropanamide Traditional Name: (2S)-2-(piperonylthiocarbamoylamino)-N-propyl-propionamide Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3S/c1-3-6-16-14(19)10(2)18-15(22)17-8-11-4-5-12-13(7-11)21-9-20-12/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,16,19)(H2,17,18,22)/t10-/m0/s1