1-phenyl-3-(2-pyrrolidin-1-yl-5-pyrrolidin-1-ylcarbonyl-phenyl)thiourea

Systemtic Name: 1-phenyl-3-(2-pyrrolidin-1-yl-5-pyrrolidin-1-ylcarbonyl-phenyl)thiourea Openeye Name: 1-phenyl-3-[5-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-yl-phenyl]thiourea CAS Name: 1-[5-[oxo(1-pyrrolidinyl)methyl]-2-(1-pyrrolidinyl)phenyl]-3-phenylthiourea IUPAC Name: 1-phenyl-3-[5-(pyrrolidine-1-carbonyl)-2-pyrrolidin-1-ylphenyl]thiourea Traditional Name: 1-phenyl-3-[5-(pyrrolidine-1-carbonyl)-2-pyrrolidino-phenyl]thiourea Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCCC3)NC(=S)NC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)N3CCCC3)NC(=S)NC4=CC=CC=C4

InChI

InChI=1S/C22H26N4OS/c27-21(26-14-6-7-15-26)17-10-11-20(25-12-4-5-13-25)19(16-17)24-22(28)23-18-8-2-1-3-9-18/h1-3,8-11,16H,4-7,12-15H2,(H2,23,24,28)