1-[(Z)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea

Systemtic Name: 1-[(Z)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea Openeye Name: 1-[(Z)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methyleneamino]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea CAS Name: 1-[(Z)-[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]methylideneamino]-3-[[(2R)-2-oxolanyl]methyl]thiourea IUPAC Name: 1-[(Z)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]-3-[[(2R)-oxolan-2-yl]methyl]thiourea Traditional Name: 1-[(Z)-(3-methyl-1-phenyl-5-pyrrolidino-pyrazol-4-yl)methyleneamino]-3-[[(2R)-tetrahydrofuran-2-yl]methyl]thiourea Formula: C21H28N6OS MolecularWeight: 412.55162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=S)NCC2CCCO2)N3CCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1/C=N\NC(=S)NC[C@H]2CCCO2)N3CCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H28N6OS/c1-16-19(15-23-24-21(29)22-14-18-10-7-13-28-18)20(26-11-5-6-12-26)27(25-16)17-8-3-2-4-9-17/h2-4,8-9,15,18H,5-7,10-14H2,1H3,(H2,22,24,29)/b23-15-/t18-/m1/s1