1-[4-(4-ethoxyphenoxy)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[4-(4-ethoxyphenoxy)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[4-(4-ethoxyphenoxy)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[4-(4-ethoxyphenoxy)phenyl]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[4-(4-ethoxyphenoxy)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[4-(4-ethoxyphenoxy)phenyl]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C22H30N3O3S+ MolecularWeight: 416.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NCCC[NH+]3CCOCC3

Isomeric SMILES

CCOC1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)NCCC[NH+]3CCOCC3

InChI

InChI=1S/C22H29N3O3S/c1-2-27-19-8-10-21(11-9-19)28-20-6-4-18(5-7-20)24-22(29)23-12-3-13-25-14-16-26-17-15-25/h4-11H,2-3,12-17H2,1H3,(H2,23,24,29)/p+1