1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2,3,5-trimethylphenoxy)propyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2,3,5-trimethylphenoxy)propyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2,3,5-trimethylphenoxy)propyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2,3,5-trimethylphenoxy)propyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2,3,5-trimethylphenoxy)propyl]thiourea Traditional Name: 1-piperonyl-3-[3-(2,3,5-trimethylphenoxy)propyl]thiourea Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)OCCCNC(=S)NCC2=CC3=C(C=C2)OCO3)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)OCCCNC(=S)NCC2=CC3=C(C=C2)OCO3)C)C

InChI

InChI=1S/C21H26N2O3S/c1-14-9-15(2)16(3)19(10-14)24-8-4-7-22-21(27)23-12-17-5-6-18-20(11-17)26-13-25-18/h5-6,9-11H,4,7-8,12-13H2,1-3H3,(H2,22,23,27)