1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2,4-dimethylphenyl)propyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2,4-dimethylphenyl)propyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2,4-dimethylphenyl)propyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2,4-dimethylphenyl)propyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[3-(2,4-dimethylphenyl)propyl]thiourea Traditional Name: 1-[3-(2,4-dimethylphenyl)propyl]-3-piperonyl-thiourea Formula: C20H24N2O2S MolecularWeight: 356.48176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CCCNC(=S)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CC1=CC(=C(C=C1)CCCNC(=S)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C20H24N2O2S/c1-14-5-7-17(15(2)10-14)4-3-9-21-20(25)22-12-16-6-8-18-19(11-16)24-13-23-18/h5-8,10-11H,3-4,9,12-13H2,1-2H3,(H2,21,22,25)