1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]thiourea

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]thiourea Openeye Name: 1-[(Z)-(4-benzyloxyphenyl)methyleneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]thiourea IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(4-benzoxybenzylidene)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C22H29N4O2S+ MolecularWeight: 413.55626

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NN=CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)N/N=C\C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2S/c29-22(23-11-4-12-26-13-15-27-16-14-26)25-24-17-19-7-9-21(10-8-19)28-18-20-5-2-1-3-6-20/h1-3,5-10,17H,4,11-16,18H2,(H2,23,25,29)/p+1/b24-17-