1-[(E)-(3-methyl-1-phenyl-5-piperidin-1-yl-pyrazol-4-yl)methylideneamino]thiourea

Systemtic Name: 1-[(E)-(3-methyl-1-phenyl-5-piperidin-1-yl-pyrazol-4-yl)methylideneamino]thiourea Openeye Name: [(E)-[3-methyl-1-phenyl-5-(1-piperidyl)pyrazol-4-yl]methyleneamino]thiourea CAS Name: [(E)-[3-methyl-1-phenyl-5-(1-piperidinyl)-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: [(E)-(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methylideneamino]thiourea Traditional Name: [(E)-(3-methyl-1-phenyl-5-piperidino-pyrazol-4-yl)methyleneamino]thiourea Formula: C17H22N6S MolecularWeight: 342.46178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=S)N)N2CCCCC2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=S)N)N2CCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C17H22N6S/c1-13-15(12-19-20-17(18)24)16(22-10-6-3-7-11-22)23(21-13)14-8-4-2-5-9-14/h2,4-5,8-9,12H,3,6-7,10-11H2,1H3,(H3,18,20,24)/b19-12+