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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N(C)CC2COC3=CC=CC=C3O2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N(C)CC2COC3=CC=CC=C3O2

InChI

InChI=1S/C21H26N2O2S/c1-3-4-7-16-10-12-17(13-11-16)22-21(26)23(2)14-18-15-24-19-8-5-6-9-20(19)25-18/h5-6,8-13,18H,3-4,7,14-15H2,1-2H3,(H,22,26)