(4-nitrophenyl)methyl N'-ethyl-N-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]carbamimidothioate

Systemtic Name: (4-nitrophenyl)methyl N'-ethyl-N-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]carbamimidothioate Openeye Name: 3-ethyl-1-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]-2-[(4-nitrophenyl)methyl]isothiourea CAS Name: N'-ethyl-N-[(Z)-(1-methyl-2-pyrrolidinylidene)amino]carbamimidothioic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl N'-ethyl-N-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]carbamimidothioate Traditional Name: 3-ethyl-1-[(Z)-(1-methylpyrrolidin-2-ylidene)amino]-2-(4-nitrobenzyl)isothiourea Formula: C15H21N5O2S MolecularWeight: 335.42454

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C(NN=C1CCCN1C)SCC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN=C(N/N=C\1/CCCN1C)SCC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H21N5O2S/c1-3-16-15(18-17-14-5-4-10-19(14)2)23-11-12-6-8-13(9-7-12)20(21)22/h6-9H,3-5,10-11H2,1-2H3,(H,16,18)/b17-14-