N-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]carbothioylthiophene-2-carboxamide

Systemtic Name: N-[4-[4-nitro-3-(phenethylamino)phenyl]piperazin-1-yl]carbothioylthiophene-2-carboxamide Openeye Name: N-[4-[4-nitro-3-(phenethylamino)phenyl]piperazine-1-carbothioyl]thiophene-2-carboxamide CAS Name: N-[[4-[4-nitro-3-(phenethylamino)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[4-[4-nitro-3-(phenethylamino)phenyl]piperazine-1-carbothioyl]thiophene-2-carboxamide Traditional Name: N-[4-[4-nitro-3-(phenethylamino)phenyl]piperazine-1-carbothioyl]thiophene-2-carboxamide Formula: C24H25N5O3S2 MolecularWeight: 495.617

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)C(=S)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])NCCC3=CC=CC=C3)C(=S)NC(=O)C4=CC=CS4

InChI

InChI=1S/C24H25N5O3S2/c30-23(22-7-4-16-34-22)26-24(33)28-14-12-27(13-15-28)19-8-9-21(29(31)32)20(17-19)25-11-10-18-5-2-1-3-6-18/h1-9,16-17,25H,10-15H2,(H,26,30,33)