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

Systemtic Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thiourea Openeye Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-(1-phenylpyrazol-4-yl)methyleneamino]thiourea CAS Name: 1-[3-(4-morpholin-4-iumyl)propyl]-3-[(Z)-(1-phenyl-4-pyrazolyl)methylideneamino]thiourea IUPAC Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-(1-phenylpyrazol-4-yl)methylideneamino]thiourea Traditional Name: 1-(3-morpholin-4-ium-4-ylpropyl)-3-[(Z)-(1-phenylpyrazol-4-yl)methyleneamino]thiourea Formula: C18H25N6OS+ MolecularWeight: 373.4957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6OS/c26-18(19-7-4-8-23-9-11-25-12-10-23)22-20-13-16-14-21-24(15-16)17-5-2-1-3-6-17/h1-3,5-6,13-15H,4,7-12H2,(H2,19,22,26)/p+1/b20-13-