1-(2-chloranyl-5-nitro-phenyl)-3-[3-[ethyl(phenyl)amino]propyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[3-[ethyl(phenyl)amino]propyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[3-(N-ethylanilino)propyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[3-(N-ethylanilino)propyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[3-(N-ethylanilino)propyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[3-(N-ethylanilino)propyl]thiourea Formula: C18H21ClN4O2S MolecularWeight: 392.90294

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C2=CC=CC=C2

Isomeric SMILES

CCN(CCCNC(=S)NC1=C(C=CC(=C1)[N+](=O)[O-])Cl)C2=CC=CC=C2

InChI

InChI=1S/C18H21ClN4O2S/c1-2-22(14-7-4-3-5-8-14)12-6-11-20-18(26)21-17-13-15(23(24)25)9-10-16(17)19/h3-5,7-10,13H,2,6,11-12H2,1H3,(H2,20,21,26)