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

Systemtic Name: 2-[(Z)-(3-nitro-4-piperidin-1-yl-phenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Openeye Name: 2-[(Z)-[3-nitro-4-(1-piperidyl)phenyl]methyleneamino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile CAS Name: 2-[(Z)-[3-nitro-4-(1-piperidinyl)phenyl]methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile IUPAC Name: 2-[(Z)-(3-nitro-4-piperidin-1-ylphenyl)methylideneamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile Traditional Name: 2-[(Z)-(3-nitro-4-piperidino-benzylidene)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carbonitrile Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C=NC3=C(C4=C(S3)CCCC4)C#N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)/C=N\C3=C(C4=C(S3)CCCC4)C#N)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O2S/c22-13-17-16-6-2-3-7-20(16)28-21(17)23-14-15-8-9-18(19(12-15)25(26)27)24-10-4-1-5-11-24/h8-9,12,14H,1-7,10-11H2/b23-14-