1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[2-(4-morpholin-4-iumyl)ethyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(2-morpholin-4-ium-4-ylethyl)thiourea Formula: C18H26N5O2S+ MolecularWeight: 376.49634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCC[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=S)NCC[NH+]3CCOCC3

InChI

InChI=1S/C18H25N5O2S/c1-14-16(17(24)23(21(14)2)15-6-4-3-5-7-15)20-18(26)19-8-9-22-10-12-25-13-11-22/h3-7H,8-13H2,1-2H3,(H2,19,20,26)/p+1