3-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(2-prop-2-enoxyphenyl)methyl]thiourea

Systemtic Name: 3-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(2-prop-2-enoxyphenyl)methyl]thiourea Openeye Name: 1-[(2-allyloxyphenyl)methyl]-3-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea CAS Name: 3-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(2-prop-2-enoxyphenyl)methyl]thiourea IUPAC Name: 3-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(2-prop-2-enoxyphenyl)methyl]thiourea Traditional Name: 1-(2-allyloxybenzyl)-3-butyl-1-(2,3-dihydro-1,4-benzodioxin-6-yl)thiourea Formula: C23H28N2O3S MolecularWeight: 412.54502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N(CC1=CC=CC=C1OCC=C)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCNC(=S)N(CC1=CC=CC=C1OCC=C)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C23H28N2O3S/c1-3-5-12-24-23(29)25(17-18-8-6-7-9-20(18)26-13-4-2)19-10-11-21-22(16-19)28-15-14-27-21/h4,6-11,16H,2-3,5,12-15,17H2,1H3,(H,24,29)