1-(1,3-benzodioxol-5-yl)-3-(2-butylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(2-butylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(2-butylphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(2-butylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(2-butylphenyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(2-butylphenyl)thiourea Formula: C18H20N2O2S MolecularWeight: 328.4286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCC1=CC=CC=C1NC(=S)NC2=CC3=C(C=C2)OCO3

InChI

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