3-(4-butylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-thiourea

Systemtic Name: 3-(4-butylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-thiourea Openeye Name: 3-(4-butylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-thiourea CAS Name: 3-(4-butylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylthiourea IUPAC Name: 3-(4-butylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methylthiourea Traditional Name: 3-(4-butylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-methyl-thiourea Formula: C21H26N2O2S MolecularWeight: 370.50834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N(C)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(C)CC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C21H26N2O2S/c1-3-4-5-16-6-9-18(10-7-16)22-21(26)23(2)15-17-8-11-19-20(14-17)25-13-12-24-19/h6-11,14H,3-5,12-13,15H2,1-2H3,(H,22,26)