1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2R)-2-(4-cyanophenoxy)-1-oxopropyl]amino]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]thiourea Traditional Name: 1-[[(2R)-2-(4-cyanophenoxy)propanoyl]amino]-3-piperonyl-thiourea Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O4S/c1-12(27-15-5-2-13(9-20)3-6-15)18(24)22-23-19(28)21-10-14-4-7-16-17(8-14)26-11-25-16/h2-8,12H,10-11H2,1H3,(H,22,24)(H2,21,23,28)/t12-/m1/s1