1-(2-chloranyl-5-nitro-phenyl)-3-(4-piperidin-1-ylphenyl)thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-(4-piperidin-1-ylphenyl)thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[4-(1-piperidyl)phenyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[4-(1-piperidinyl)phenyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-(4-piperidin-1-ylphenyl)thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-(4-piperidinophenyl)thiourea Formula: C18H19ClN4O2S MolecularWeight: 390.88706

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H19ClN4O2S/c19-16-9-8-15(23(24)25)12-17(16)21-18(26)20-13-4-6-14(7-5-13)22-10-2-1-3-11-22/h4-9,12H,1-3,10-11H2,(H2,20,21,26)