1-(2-chloranyl-5-nitro-phenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]thiourea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]thiourea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]thiourea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[(1-ethyl-2-pyrrolidinyl)methyl]thiourea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]thiourea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]thiourea Formula: C14H19ClN4O2S MolecularWeight: 342.84426

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCN1CCCC1CNC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H19ClN4O2S/c1-2-18-7-3-4-11(18)9-16-14(22)17-13-8-10(19(20)21)5-6-12(13)15/h5-6,8,11H,2-4,7,9H2,1H3,(H2,16,17,22)