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

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(2-dimethylaminoethyl)-1-[(2-prop-2-enoxyphenyl)methyl]thiourea Openeye Name: 1-[(2-allyloxyphenyl)methyl]-1-(1,3-benzodioxol-5-yl)-3-(2-dimethylaminoethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(2-dimethylaminoethyl)-1-[(2-prop-2-enoxyphenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(2-dimethylaminoethyl)-1-[(2-prop-2-enoxyphenyl)methyl]thiourea Traditional Name: 1-(2-allyloxybenzyl)-1-(1,3-benzodioxol-5-yl)-3-(2-dimethylaminoethyl)thiourea Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-4-13-26-19-8-6-5-7-17(19)15-25(22(29)23-11-12-24(2)3)18-9-10-20-21(14-18)28-16-27-20/h4-10,14H,1,11-13,15-16H2,2-3H3,(H,23,29)