1-(2-morpholin-4-ium-4-ylethyl)-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]thiourea

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]thiourea Openeye Name: 1-[(Z)-(4-benzyloxyphenyl)methyleneamino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]thiourea IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]thiourea Traditional Name: 1-[(Z)-(4-benzoxybenzylidene)amino]-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C21H27N4O2S+ MolecularWeight: 399.52968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N4O2S/c28-21(22-10-11-25-12-14-26-15-13-25)24-23-16-18-6-8-20(9-7-18)27-17-19-4-2-1-3-5-19/h1-9,16H,10-15,17H2,(H2,22,24,28)/p+1/b23-16-