1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-3-(2,6-dimethylphenyl)thiourea

Systemtic Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-3-(2,6-dimethylphenyl)thiourea Openeye Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-3-(2,6-dimethylphenyl)thiourea CAS Name: 1-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]-3-(2,6-dimethylphenyl)thiourea IUPAC Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-3-(2,6-dimethylphenyl)thiourea Traditional Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]-3-(2,6-dimethylphenyl)thiourea Formula: C18H19N3O3S MolecularWeight: 357.42676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=S)NNC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=S)NNC(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C18H19N3O3S/c1-11-6-5-7-12(2)16(11)19-18(25)21-20-17(22)15-10-23-13-8-3-4-9-14(13)24-15/h3-9,15H,10H2,1-2H3,(H,20,22)(H2,19,21,25)/t15-/m1/s1