1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-methylphenoxy)ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-methylphenoxy)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-methylphenoxy)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-methylphenoxy)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-methylphenoxy)ethyl]thiourea Traditional Name: 1-[2-(4-methylphenoxy)ethyl]-3-piperonyl-thiourea Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O3S/c1-13-2-5-15(6-3-13)21-9-8-19-18(24)20-11-14-4-7-16-17(10-14)23-12-22-16/h2-7,10H,8-9,11-12H2,1H3,(H2,19,20,24)