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

Systemtic Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]carbonylamino]-3-(4-phenoxyphenyl)thiourea Openeye Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-3-(4-phenoxyphenyl)thiourea CAS Name: 1-[[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-oxomethyl]amino]-3-(4-phenoxyphenyl)thiourea IUPAC Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxine-3-carbonyl]amino]-3-(4-phenoxyphenyl)thiourea Traditional Name: 1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-carbonyl]amino]-3-(4-phenoxyphenyl)thiourea Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C(=O)NNC(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1[C@@H](OC2=CC=CC=C2O1)C(=O)NNC(=S)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C22H19N3O4S/c26-21(20-14-27-18-8-4-5-9-19(18)29-20)24-25-22(30)23-15-10-12-17(13-11-15)28-16-6-2-1-3-7-16/h1-13,20H,14H2,(H,24,26)(H2,23,25,30)/t20-/m1/s1