1-(1,3-benzodioxol-5-yl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-[(1S)-1-(2,5-dimethylphenyl)ethyl]thiourea Formula: C18H20N2O2S MolecularWeight: 328.4286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C)NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=CC(=C(C=C1)C)[C@H](C)NC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O2S/c1-11-4-5-12(2)15(8-11)13(3)19-18(23)20-14-6-7-16-17(9-14)22-10-21-16/h4-9,13H,10H2,1-3H3,(H2,19,20,23)/t13-/m0/s1