ethyl N'-[(E)-[1-(3-nitrophenyl)-3-piperidin-1-yl-propylidene]amino]carbamimidothioate

Systemtic Name: ethyl N'-[(E)-[1-(3-nitrophenyl)-3-piperidin-1-yl-propylidene]amino]carbamimidothioate Openeye Name: 2-ethyl-3-[(E)-[1-(3-nitrophenyl)-3-(1-piperidyl)propylidene]amino]isothiourea CAS Name: N'-[(E)-[1-(3-nitrophenyl)-3-(1-piperidinyl)propylidene]amino]carbamimidothioic acid ethyl ester IUPAC Name: ethyl N'-[(E)-[1-(3-nitrophenyl)-3-piperidin-1-ylpropylidene]amino]carbamimidothioate Traditional Name: 2-ethyl-3-[(E)-[1-(3-nitrophenyl)-3-piperidino-propylidene]amino]isothiourea Formula: C17H25N5O2S MolecularWeight: 363.4777

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=NN=C(CCN1CCCCC1)C2=CC(=CC=C2)[N+](=O)[O-])N

Isomeric SMILES

CCS/C(=N/N=C(\CCN1CCCCC1)/C2=CC(=CC=C2)[N+](=O)[O-])/N

InChI

InChI=1S/C17H25N5O2S/c1-2-25-17(18)20-19-16(9-12-21-10-4-3-5-11-21)14-7-6-8-15(13-14)22(23)24/h6-8,13H,2-5,9-12H2,1H3,(H2,18,20)/b19-16+