1-(2-chloranyl-5-nitro-phenyl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[[2-(1-pyrrolidinylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[2-(pyrrolidinomethyl)benzyl]thiourea Formula: C19H21ClN4O2S MolecularWeight: 404.91364

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

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