1-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea

Systemtic Name: 1-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea Openeye Name: 1-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]-3-(3-morpholinopropyl)thiourea CAS Name: 1-[(E)-(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylideneamino]-3-[3-(4-morpholinyl)propyl]thiourea IUPAC Name: 1-[(E)-(3,5-dimethyl-1-phenylpyrazol-4-yl)methylideneamino]-3-(3-morpholin-4-ylpropyl)thiourea Traditional Name: 1-[(E)-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyleneamino]-3-(3-morpholinopropyl)thiourea Formula: C20H28N6OS MolecularWeight: 400.54092

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C=NNC(=S)NCCCN3CCOCC3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)/C=N/NC(=S)NCCCN3CCOCC3

InChI

InChI=1S/C20H28N6OS/c1-16-19(17(2)26(24-16)18-7-4-3-5-8-18)15-22-23-20(28)21-9-6-10-25-11-13-27-14-12-25/h3-5,7-8,15H,6,9-14H2,1-2H3,(H2,21,23,28)/b22-15+