2-[[3-nitro-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Systemtic Name: 2-[[3-nitro-4-[4-(phenylmethyl)piperidin-1-yl]phenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[[4-(4-benzyl-1-piperidyl)-3-nitro-phenyl]methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[[3-nitro-4-[4-(phenylmethyl)-1-piperidinyl]phenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[[4-(4-benzylpiperidino)-3-nitro-benzylidene]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C28H28N4O2S MolecularWeight: 484.61252

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=CC(=C(C=C3)N4CCC(CC4)CC5=CC=CC=C5)[N+](=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N=CC3=CC(=C(C=C3)N4CCC(CC4)CC5=CC=CC=C5)[N+](=O)[O-])C#N

InChI

InChI=1S/C28H28N4O2S/c29-18-24-23-8-4-5-9-27(23)35-28(24)30-19-22-10-11-25(26(17-22)32(33)34)31-14-12-21(13-15-31)16-20-6-2-1-3-7-20/h1-3,6-7,10-11,17,19,21H,4-5,8-9,12-16H2