1-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea

Systemtic Name: 1-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-[(Z)-(2,4-dipropoxyphenyl)methyleneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-[(Z)-(2,4-dipropoxyphenyl)methylideneamino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-[(Z)-(2,4-dipropoxybenzylidene)amino]-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C21H35N4O3S+ MolecularWeight: 423.5926

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=C(C=C1)C=NNC(=S)NCCC[NH+]2CCOCC2)OCCC

Isomeric SMILES

CCCOC1=CC(=C(C=C1)/C=N\NC(=S)NCCC[NH+]2CCOCC2)OCCC

InChI

InChI=1S/C21H34N4O3S/c1-3-12-27-19-7-6-18(20(16-19)28-13-4-2)17-23-24-21(29)22-8-5-9-25-10-14-26-15-11-25/h6-7,16-17H,3-5,8-15H2,1-2H3,(H2,22,24,29)/p+1/b23-17-