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

Systemtic Name: 1-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Openeye Name: 1-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-yl-pyrazol-4-yl)methyleneamino]-3-(4-morpholinosulfonylphenyl)thiourea CAS Name: 1-[(E)-[3-methyl-1-phenyl-5-(1-pyrrolidinyl)-4-pyrazolyl]methylideneamino]-3-[4-(4-morpholinylsulfonyl)phenyl]thiourea IUPAC Name: 1-[(E)-(3-methyl-1-phenyl-5-pyrrolidin-1-ylpyrazol-4-yl)methylideneamino]-3-(4-morpholin-4-ylsulfonylphenyl)thiourea Traditional Name: 1-[(E)-(3-methyl-1-phenyl-5-pyrrolidino-pyrazol-4-yl)methyleneamino]-3-(4-morpholinosulfonylphenyl)thiourea Formula: C26H31N7O3S2 MolecularWeight: 553.69944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C=NNC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C(=C1/C=N/NC(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCOCC3)N4CCCC4)C5=CC=CC=C5

InChI

InChI=1S/C26H31N7O3S2/c1-20-24(25(31-13-5-6-14-31)33(30-20)22-7-3-2-4-8-22)19-27-29-26(37)28-21-9-11-23(12-10-21)38(34,35)32-15-17-36-18-16-32/h2-4,7-12,19H,5-6,13-18H2,1H3,(H2,28,29,37)/b27-19+