1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(oxolan-2-ylmethyl)thiourea

Systemtic Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(oxolan-2-ylmethyl)thiourea Openeye Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(tetrahydrofuran-2-ylmethyl)thiourea CAS Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-oxolanylmethyl)thiourea IUPAC Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(oxolan-2-ylmethyl)thiourea Traditional Name: 1-(2-cyanoethyl)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(tetrahydrofurfuryl)thiourea Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN(CCC#N)C(=S)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

C1CC(OC1)CN(CCC#N)C(=S)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H21N3O3S/c18-6-2-7-20(12-14-3-1-8-21-14)17(24)19-13-4-5-15-16(11-13)23-10-9-22-15/h4-5,11,14H,1-3,7-10,12H2,(H,19,24)