1-(2-chloranyl-5-nitro-phenyl)-3-[(2R)-2-phenyl-2-pyrrolidin-1-yl-ethyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(2R)-2-phenyl-2-pyrrolidin-1-yl-ethyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(2R)-2-phenyl-2-pyrrolidin-1-yl-ethyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(2R)-2-phenyl-2-(1-pyrrolidinyl)ethyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(2R)-2-phenyl-2-pyrrolidino-ethyl]thiourea Formula: C19H21ClN4O2S MolecularWeight: 404.91364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C1)[C@@H](CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3

InChI

InChI=1S/C19H21ClN4O2S/c20-16-9-8-15(24(25)26)12-17(16)22-19(27)21-13-18(23-10-4-5-11-23)14-6-2-1-3-7-14/h1-3,6-9,12,18H,4-5,10-11,13H2,(H2,21,22,27)/t18-/m0/s1