2-(2-nitrothiophen-3-yl)sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide

Systemtic Name: 2-(2-nitrothiophen-3-yl)sulfanyl-N-[1-(phenylmethyl)piperidin-4-yl]ethanamide Openeye Name: N-(1-benzyl-4-piperidyl)-2-[(2-nitro-3-thienyl)sulfanyl]acetamide CAS Name: 2-[(2-nitro-3-thiophenyl)thio]-N-[1-(phenylmethyl)-4-piperidinyl]acetamide IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-(2-nitrothiophen-3-yl)sulfanylacetamide Traditional Name: N-(1-benzyl-4-piperidyl)-2-[(2-nitro-3-thienyl)thio]acetamide Formula: C18H21N3O3S2 MolecularWeight: 391.50764

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NC(=O)CSC2=C(SC=C2)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1NC(=O)CSC2=C(SC=C2)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O3S2/c22-17(13-26-16-8-11-25-18(16)21(23)24)19-15-6-9-20(10-7-15)12-14-4-2-1-3-5-14/h1-5,8,11,15H,6-7,9-10,12-13H2,(H,19,22)