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

Systemtic Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-3-(4-ethylphenyl)thiourea Openeye Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-3-(4-ethylphenyl)thiourea CAS Name: 1-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]-3-(4-ethylphenyl)thiourea IUPAC Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-3-(4-ethylphenyl)thiourea Traditional Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]-3-(4-ethylphenyl)thiourea Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=S)NNC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=S)NNC(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H19N3O3S/c1-2-12-7-9-13(10-8-12)19-18(25)21-20-17(22)16-11-23-14-5-3-4-6-15(14)24-16/h3-10,16H,2,11H2,1H3,(H,20,22)(H2,19,21,25)/t16-/m1/s1