1-[[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]-3-ethyl-thiourea

Systemtic Name: 1-[[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]-3-ethyl-thiourea Openeye Name: 1-[[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]-3-ethyl-thiourea CAS Name: 1-[[(2S)-2-(1,3-benzodioxol-5-yloxy)-1-oxopropyl]amino]-3-ethylthiourea IUPAC Name: 1-[[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]-3-ethylthiourea Traditional Name: 1-[[(2S)-2-(1,3-benzodioxol-5-yloxy)propanoyl]amino]-3-ethyl-thiourea Formula: C13H17N3O4S MolecularWeight: 311.35678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)NNC(=O)C(C)OC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCNC(=S)NNC(=O)[C@H](C)OC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C13H17N3O4S/c1-3-14-13(21)16-15-12(17)8(2)20-9-4-5-10-11(6-9)19-7-18-10/h4-6,8H,3,7H2,1-2H3,(H,15,17)(H2,14,16,21)/t8-/m0/s1