1-(1,3-benzodioxol-5-ylmethyl)-3-(7-methyloctyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(7-methyloctyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(7-methyloctyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(7-methyloctyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(7-methyloctyl)thiourea Traditional Name: 1-(7-methyloctyl)-3-piperonyl-thiourea Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCNC(=S)NCC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CC(C)CCCCCCNC(=S)NCC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C18H28N2O2S/c1-14(2)7-5-3-4-6-10-19-18(23)20-12-15-8-9-16-17(11-15)22-13-21-16/h8-9,11,14H,3-7,10,12-13H2,1-2H3,(H2,19,20,23)