N-(4-butylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)N2CCN(CC2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H26N4O2S/c1-2-3-4-17-5-7-18(8-6-17)22-21(28)24-15-13-23(14-16-24)19-9-11-20(12-10-19)25(26)27/h5-12H,2-4,13-16H2,1H3,(H,22,28)