3-(1,3-benzodioxol-5-ylmethyl)-1-phenyl-1-prop-2-enyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-phenyl-1-prop-2-enyl-thiourea Openeye Name: 1-allyl-3-(1,3-benzodioxol-5-ylmethyl)-1-phenyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-phenyl-1-prop-2-enylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-1-phenyl-1-prop-2-enylthiourea Traditional Name: 1-allyl-1-phenyl-3-piperonyl-thiourea Formula: C18H18N2O2S MolecularWeight: 326.41272

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN(C1=CC=CC=C1)C(=S)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

C=CCN(C1=CC=CC=C1)C(=S)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H18N2O2S/c1-2-10-20(15-6-4-3-5-7-15)18(23)19-12-14-8-9-16-17(11-14)22-13-21-16/h2-9,11H,1,10,12-13H2,(H,19,23)