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

Systemtic Name: 3-(4-butylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-ethyl-thiourea Openeye Name: 3-(4-butylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-ethyl-thiourea CAS Name: 3-(4-butylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-ethylthiourea IUPAC Name: 3-(4-butylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-ethylthiourea Traditional Name: 3-(4-butylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-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)CC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-3-5-6-17-7-10-19(11-8-17)23-22(27)24(4-2)16-18-9-12-20-21(15-18)26-14-13-25-20/h7-12,15H,3-6,13-14,16H2,1-2H3,(H,23,27)