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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2-cyanoethyl)-1-(furan-2-ylmethyl)thiourea Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2-cyanoethyl)-1-(2-furylmethyl)thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2-cyanoethyl)-1-(2-furanylmethyl)thiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-(2-cyanoethyl)-1-(furan-2-ylmethyl)thiourea Traditional Name: 1-(2-cyanoethyl)-1-(2-furfuryl)-3-piperonyl-thiourea Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)N(CCC#N)CC3=CC=CO3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)N(CCC#N)CC3=CC=CO3

InChI

InChI=1S/C17H17N3O3S/c18-6-2-7-20(11-14-3-1-8-21-14)17(24)19-10-13-4-5-15-16(9-13)23-12-22-15/h1,3-5,8-9H,2,7,10-12H2,(H,19,24)