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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-1-[(2-prop-2-enoxyphenyl)methyl]thiourea Openeye Name: 1-[(2-allyloxyphenyl)methyl]-1-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-1-[(2-prop-2-enoxyphenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)-1-[(2-prop-2-enoxyphenyl)methyl]thiourea Traditional Name: 1-(2-allyloxybenzyl)-1-(1,3-benzodioxol-5-yl)-3-(2-methoxyethyl)thiourea Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O4S/c1-3-11-25-18-7-5-4-6-16(18)14-23(21(28)22-10-12-24-2)17-8-9-19-20(13-17)27-15-26-19/h3-9,13H,1,10-12,14-15H2,2H3,(H,22,28)