1-(4-butylphenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiourea Openeye Name: 1-(4-butylphenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiourea CAS Name: 1-(4-butylphenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiourea Traditional Name: 1-(4-butylphenyl)-3-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]thiourea Formula: C21H26N2O2S MolecularWeight: 370.50834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NCCC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NCCC2=CC3=C(C=C2)OCCO3

InChI

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