1-(4-butylphenyl)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]thiourea

Systemtic Name: 1-(4-butylphenyl)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]thiourea Openeye Name: 1-(4-butylphenyl)-3-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]thiourea CAS Name: 1-(4-butylphenyl)-3-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]thiourea IUPAC Name: 1-(4-butylphenyl)-3-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]thiourea Traditional Name: 1-(4-butylphenyl)-3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]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)C2COC3=CC=CC=C3O2

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NNC(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C20H23N3O3S/c1-2-3-6-14-9-11-15(12-10-14)21-20(27)23-22-19(24)18-13-25-16-7-4-5-8-17(16)26-18/h4-5,7-12,18H,2-3,6,13H2,1H3,(H,22,24)(H2,21,23,27)/t18-/m1/s1