1-[2-[3,5-bis(chloranyl)phenoxy]ethyl]-3-(2-dimethylaminoethyl)-1-propan-2-yl-urea hydrate

Systemtic Name: 1-[2-[3,5-bis(chloranyl)phenoxy]ethyl]-3-(2-dimethylaminoethyl)-1-propan-2-yl-urea hydrate Openeye Name: 1-[2-(3,5-dichlorophenoxy)ethyl]-3-(2-dimethylaminoethyl)-1-isopropyl-urea hydrate CAS Name: 1-[2-(3,5-dichlorophenoxy)ethyl]-3-(2-dimethylaminoethyl)-1-propan-2-ylurea hydrate IUPAC Name: 1-[2-(3,5-dichlorophenoxy)ethyl]-3-(2-dimethylaminoethyl)-1-propan-2-ylurea hydrate Traditional Name: 1-[2-(3,5-dichlorophenoxy)ethyl]-3-(2-dimethylaminoethyl)-1-isopropyl-urea hydrate Formula: C16H27Cl2N3O3 MolecularWeight: 380.30988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCOC1=CC(=CC(=C1)Cl)Cl)C(=O)NCCN(C)C.O

Isomeric SMILES

CC(C)N(CCOC1=CC(=CC(=C1)Cl)Cl)C(=O)NCCN(C)C.O

InChI

InChI=1S/C16H25Cl2N3O2.H2O/c1-12(2)21(16(22)19-5-6-20(3)4)7-8-23-15-10-13(17)9-14(18)11-15;/h9-12H,5-8H2,1-4H3,(H,19,22);1H2