1-(2-morpholin-4-ium-4-ylethyl)-3-[(Z)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylideneamino]thiourea

Systemtic Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(Z)-(1-phenyl-3-thiophen-2-yl-pyrazol-4-yl)methylideneamino]thiourea Openeye Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(Z)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]thiourea CAS Name: 1-[2-(4-morpholin-4-iumyl)ethyl]-3-[(Z)-(1-phenyl-3-thiophen-2-yl-4-pyrazolyl)methylideneamino]thiourea IUPAC Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(Z)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]thiourea Traditional Name: 1-(2-morpholin-4-ium-4-ylethyl)-3-[(Z)-[1-phenyl-3-(2-thienyl)pyrazol-4-yl]methyleneamino]thiourea Formula: C21H25N6OS2+ MolecularWeight: 441.5928

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=S)NN=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCNC(=S)N/N=C\C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N6OS2/c29-21(22-8-9-26-10-12-28-13-11-26)24-23-15-17-16-27(18-5-2-1-3-6-18)25-20(17)19-7-4-14-30-19/h1-7,14-16H,8-13H2,(H2,22,24,29)/p+1/b23-15-