N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-(phenylmethyl)piperidine-1-carbothioamide

Systemtic Name: N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]-4-(phenylmethyl)piperidine-1-carbothioamide Openeye Name: 4-benzyl-N-[(E)-(5-nitro-2-thienyl)methyleneamino]piperidine-1-carbothioamide CAS Name: N-[(E)-(5-nitro-2-thiophenyl)methylideneamino]-4-(phenylmethyl)-1-piperidinecarbothioamide IUPAC Name: 4-benzyl-N-[(E)-(5-nitrothiophen-2-yl)methylideneamino]piperidine-1-carbothioamide Traditional Name: 4-benzyl-N-[(E)-(5-nitro-2-thienyl)methyleneamino]piperidine-1-carbothioamide Formula: C18H20N4O2S2 MolecularWeight: 388.507

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=S)NN=CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=S)N/N=C/C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O2S2/c23-22(24)17-7-6-16(26-17)13-19-20-18(25)21-10-8-15(9-11-21)12-14-4-2-1-3-5-14/h1-7,13,15H,8-12H2,(H,20,25)/b19-13+