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

Systemtic Name: 3-(4-butylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-thiourea Openeye Name: 3-(4-butylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-thiourea CAS Name: 3-(4-butylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylthiourea IUPAC Name: 3-(4-butylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethylthiourea Traditional Name: 3-(4-butylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-1-ethyl-thiourea Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-3-5-8-17-11-13-18(14-12-17)23-22(27)24(4-2)15-19-16-25-20-9-6-7-10-21(20)26-19/h6-7,9-14,19H,3-5,8,15-16H2,1-2H3,(H,23,27)