1-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenoxybutyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenoxybutyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenoxybutyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenoxybutyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-phenoxybutyl)thiourea Traditional Name: 1-(4-phenoxybutyl)-3-piperonyl-thiourea Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCCCCOC3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCCCCOC3=CC=CC=C3

InChI

InChI=1S/C19H22N2O3S/c25-19(20-10-4-5-11-22-16-6-2-1-3-7-16)21-13-15-8-9-17-18(12-15)24-14-23-17/h1-3,6-9,12H,4-5,10-11,13-14H2,(H2,20,21,25)