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

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[[2-(1-piperidylmethyl)phenyl]methyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[[2-(1-piperidinylmethyl)phenyl]methyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[[2-(piperidin-1-ylmethyl)phenyl]methyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[2-(piperidinomethyl)benzyl]thiourea Formula: C20H23ClN4O2S MolecularWeight: 418.94022

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=CC=C2CNC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(CC1)CC2=CC=CC=C2CNC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H23ClN4O2S/c21-18-9-8-17(25(26)27)12-19(18)23-20(28)22-13-15-6-2-3-7-16(15)14-24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11,13-14H2,(H2,22,23,28)