5-nitro-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]thiophene-3-carboxamide

Systemtic Name: 5-nitro-N-[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]thiophene-3-carboxamide Openeye Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-nitro-thiophene-3-carboxamide CAS Name: 5-nitro-N-[4-[4-(phenylmethyl)-1-piperazinyl]phenyl]-3-thiophenecarboxamide IUPAC Name: N-[4-(4-benzylpiperazin-1-yl)phenyl]-5-nitrothiophene-3-carboxamide Traditional Name: N-[4-(4-benzylpiperazino)phenyl]-5-nitro-thiophene-3-carboxamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CSC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)C4=CSC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O3S/c27-22(18-14-21(26(28)29)30-16-18)23-19-6-8-20(9-7-19)25-12-10-24(11-13-25)15-17-4-2-1-3-5-17/h1-9,14,16H,10-13,15H2,(H,23,27)