1-[2-[[3-(2-cyanophenoxy)-2-oxidanyl-propyl]amino]ethyl]-3-phenyl-thiourea hydrate

Systemtic Name: 1-[2-[[3-(2-cyanophenoxy)-2-oxidanyl-propyl]amino]ethyl]-3-phenyl-thiourea hydrate Openeye Name: 1-[2-[[3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]ethyl]-3-phenyl-thiourea hydrate CAS Name: 1-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-3-phenylthiourea hydrate IUPAC Name: 1-[2-[[3-(2-cyanophenoxy)-2-hydroxypropyl]amino]ethyl]-3-phenylthiourea hydrate Traditional Name: 1-[2-[[3-(2-cyanophenoxy)-2-hydroxy-propyl]amino]ethyl]-3-phenyl-thiourea hydrate Formula: C19H24N4O3S MolecularWeight: 388.48386

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NCCNCC(COC2=CC=CC=C2C#N)O.O

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NCCNCC(COC2=CC=CC=C2C#N)O.O

InChI

InChI=1S/C19H22N4O2S.H2O/c20-12-15-6-4-5-9-18(15)25-14-17(24)13-21-10-11-22-19(26)23-16-7-2-1-3-8-16;/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,26);1H2