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

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-(4-phenylazanylphenyl)methylideneamino]thiourea Openeye Name: 1-[(Z)-(4-anilinophenyl)methyleneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(Z)-(4-anilinophenyl)methylideneamino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(Z)-(4-anilinophenyl)methylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(Z)-(4-anilinobenzylidene)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C21H28N5OS+ MolecularWeight: 398.54492

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC(=S)NN=CC2=CC=C(C=C2)NC3=CC=CC=C3

Isomeric SMILES

C1COCC[NH+]1CCCNC(=S)N/N=C\C2=CC=C(C=C2)NC3=CC=CC=C3

InChI

InChI=1S/C21H27N5OS/c28-21(22-11-4-12-26-13-15-27-16-14-26)25-23-17-18-7-9-20(10-8-18)24-19-5-2-1-3-6-19/h1-3,5-10,17,24H,4,11-16H2,(H2,22,25,28)/p+1/b23-17-