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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-butyl-1-[(2-prop-2-enoxyphenyl)methyl]thiourea Openeye Name: 1-[(2-allyloxyphenyl)methyl]-1-(1,3-benzodioxol-5-yl)-3-butyl-thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-butyl-1-[(2-prop-2-enoxyphenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-butyl-1-[(2-prop-2-enoxyphenyl)methyl]thiourea Traditional Name: 1-(2-allyloxybenzyl)-1-(1,3-benzodioxol-5-yl)-3-butyl-thiourea Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O3S/c1-3-5-12-23-22(28)24(18-10-11-20-21(14-18)27-16-26-20)15-17-8-6-7-9-19(17)25-13-4-2/h4,6-11,14H,2-3,5,12-13,15-16H2,1H3,(H,23,28)