1-(1,3-benzodioxol-5-yl)-3-(2,6-diethylphenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-3-(2,6-diethylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-yl)-3-(2,6-diethylphenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-yl)-3-(2,6-diethylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-yl)-3-(2,6-diethylphenyl)thiourea Traditional Name: 1-(1,3-benzodioxol-5-yl)-3-(2,6-diethylphenyl)thiourea Formula: C18H20N2O2S MolecularWeight: 328.4286

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=S)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C18H20N2O2S/c1-3-12-6-5-7-13(4-2)17(12)20-18(23)19-14-8-9-15-16(10-14)22-11-21-15/h5-10H,3-4,11H2,1-2H3,(H2,19,20,23)