1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(4-butylphenyl)thiourea

Systemtic Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(4-butylphenyl)thiourea Openeye Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(4-butylphenyl)thiourea CAS Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(4-butylphenyl)thiourea IUPAC Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(4-butylphenyl)thiourea Traditional Name: 1-[1-(1,3-benzodioxol-5-yl)ethyl]-3-(4-butylphenyl)thiourea Formula: C20H24N2O2S MolecularWeight: 356.48176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC(C)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC(C)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C20H24N2O2S/c1-3-4-5-15-6-9-17(10-7-15)22-20(25)21-14(2)16-8-11-18-19(12-16)24-13-23-18/h6-12,14H,3-5,13H2,1-2H3,(H2,21,22,25)