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

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(3R)-1-(phenylmethyl)pyrrolidin-3-yl]thiourea Openeye Name: 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2-chloro-5-nitro-phenyl)thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(3R)-1-(phenylmethyl)-3-pyrrolidinyl]thiourea IUPAC Name: 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2-chloro-5-nitrophenyl)thiourea Traditional Name: 1-[(3R)-1-benzylpyrrolidin-3-yl]-3-(2-chloro-5-nitro-phenyl)thiourea Formula: C18H19ClN4O2S MolecularWeight: 390.88706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC1NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)CC3=CC=CC=C3

Isomeric SMILES

C1CN(C[C@@H]1NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl)CC3=CC=CC=C3

InChI

InChI=1S/C18H19ClN4O2S/c19-16-7-6-15(23(24)25)10-17(16)21-18(26)20-14-8-9-22(12-14)11-13-4-2-1-3-5-13/h1-7,10,14H,8-9,11-12H2,(H2,20,21,26)/t14-/m1/s1