3-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-1-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-1-(oxolan-2-ylmethyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-1-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-1-(2-oxolanylmethyl)thiourea IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-1-(oxolan-2-ylmethyl)thiourea Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-(2-cyanoethyl)-1-(tetrahydrofurfuryl)thiourea Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CCC#N)C(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C1CC(OC1)CN(CCC#N)C(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H19N3O3S/c17-6-2-7-19(10-13-3-1-8-20-13)16(23)18-12-4-5-14-15(9-12)22-11-21-14/h4-5,9,13H,1-3,7-8,10-11H2,(H,18,23)