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

Systemtic Name: 1-(4-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonylamino)thiourea Openeye Name: 1-(4-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)thiourea CAS Name: 1-(4-butylphenyl)-3-[[2,3-dihydro-1,4-benzodioxin-6-yl(oxo)methyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)thiourea Traditional Name: 1-(4-butylphenyl)-3-(2,3-dihydro-1,4-benzodioxin-6-carbonylamino)thiourea Formula: C20H23N3O3S MolecularWeight: 385.47992

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O3S/c1-2-3-4-14-5-8-16(9-6-14)21-20(27)23-22-19(24)15-7-10-17-18(13-15)26-12-11-25-17/h5-10,13H,2-4,11-12H2,1H3,(H,22,24)(H2,21,23,27)