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

Systemtic Name: 1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Openeye Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea CAS Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[3-(4-morpholin-4-iumyl)propyl]thiourea IUPAC Name: 1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Traditional Name: 1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-(3-morpholin-4-ium-4-ylpropyl)thiourea Formula: C19H28N5O2S+ MolecularWeight: 390.52292

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N5O2S/c1-15-17(18(25)24(22(15)2)16-7-4-3-5-8-16)21-19(27)20-9-6-10-23-11-13-26-14-12-23/h3-5,7-8H,6,9-14H2,1-2H3,(H2,20,21,27)/p+1