1-(1,3-benzodioxol-5-yl)-1-[(2-prop-2-enoxyphenyl)methyl]-3-propyl-thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-1-[(2-prop-2-enoxyphenyl)methyl]-3-propyl-thiourea Openeye Name: 1-[(2-allyloxyphenyl)methyl]-1-(1,3-benzodioxol-5-yl)-3-propyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-1-[(2-prop-2-enoxyphenyl)methyl]-3-propylthiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-1-[(2-prop-2-enoxyphenyl)methyl]-3-propylthiourea Traditional Name: 1-(2-allyloxybenzyl)-1-(1,3-benzodioxol-5-yl)-3-propyl-thiourea Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=S)N(CC1=CC=CC=C1OCC=C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCNC(=S)N(CC1=CC=CC=C1OCC=C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C21H24N2O3S/c1-3-11-22-21(27)23(17-9-10-19-20(13-17)26-15-25-19)14-16-7-5-6-8-18(16)24-12-4-2/h4-10,13H,2-3,11-12,14-15H2,1H3,(H,22,27)