1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-phenoxypropanoyl]amino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-phenoxypropanoyl]amino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-phenoxypropanoyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-1-oxo-2-phenoxypropyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2S)-2-phenoxypropanoyl]amino]thiourea Traditional Name: 1-[[(2S)-2-phenoxypropanoyl]amino]-3-piperonyl-thiourea Formula: C18H19N3O4S MolecularWeight: 373.42616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NNC(=S)NCC1=CC2=C(C=C1)OCO2)OC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)NNC(=S)NCC1=CC2=C(C=C1)OCO2)OC3=CC=CC=C3

InChI

InChI=1S/C18H19N3O4S/c1-12(25-14-5-3-2-4-6-14)17(22)20-21-18(26)19-10-13-7-8-15-16(9-13)24-11-23-15/h2-9,12H,10-11H2,1H3,(H,20,22)(H2,19,21,26)/t12-/m0/s1