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

Systemtic Name: 1-cyclohexyl-3-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]thiourea Openeye Name: 1-cyclohexyl-3-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methyleneamino]thiourea CAS Name: 1-cyclohexyl-3-[(E)-[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]methylideneamino]thiourea IUPAC Name: 1-cyclohexyl-3-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]thiourea Traditional Name: 1-cyclohexyl-3-[(E)-(3-methyl-1-phenyl-5-pyrrolidino-pyrazol-4-yl)methyleneamino]thiourea Formula: C22H30N6S MolecularWeight: 410.5788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=S)NC2CCCCC2)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=S)NC2CCCCC2)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H30N6S/c1-17-20(16-23-25-22(29)24-18-10-4-2-5-11-18)21(27-14-8-9-15-27)28(26-17)19-12-6-3-7-13-19/h3,6-7,12-13,16,18H,2,4-5,8-11,14-15H2,1H3,(H2,24,25,29)/b23-16+