3-(1,3-benzodioxol-5-yl)-1,1-dihexyl-thiourea

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-1,1-dihexyl-thiourea Openeye Name: 3-(1,3-benzodioxol-5-yl)-1,1-dihexyl-thiourea CAS Name: 3-(1,3-benzodioxol-5-yl)-1,1-dihexylthiourea IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1,1-dihexylthiourea Traditional Name: 3-(1,3-benzodioxol-5-yl)-1,1-dihexyl-thiourea Formula: C20H32N2O2S MolecularWeight: 364.54528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=S)NC1=CC2=C(C=C1)OCO2

Isomeric SMILES

CCCCCCN(CCCCCC)C(=S)NC1=CC2=C(C=C1)OCO2

InChI

InChI=1S/C20H32N2O2S/c1-3-5-7-9-13-22(14-10-8-6-4-2)20(25)21-17-11-12-18-19(15-17)24-16-23-18/h11-12,15H,3-10,13-14,16H2,1-2H3,(H,21,25)