1-(1,3-benzodioxol-5-ylmethyl)-1-[(4-methylphenyl)methyl]-3-prop-2-enyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(4-methylphenyl)methyl]-3-prop-2-enyl-thiourea Openeye Name: 3-allyl-1-(1,3-benzodioxol-5-ylmethyl)-1-(p-tolylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(4-methylphenyl)methyl]-3-prop-2-enylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-[(4-methylphenyl)methyl]-3-prop-2-enylthiourea Traditional Name: 3-allyl-1-(4-methylbenzyl)-1-piperonyl-thiourea Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NCC=C

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NCC=C

InChI

InChI=1S/C20H22N2O2S/c1-3-10-21-20(25)22(12-16-6-4-15(2)5-7-16)13-17-8-9-18-19(11-17)24-14-23-18/h3-9,11H,1,10,12-14H2,2H3,(H,21,25)