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

Systemtic Name: N-hexyl-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-hexyl-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-hexyl-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-hexyl-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-hexyl-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C17H26N4O2S MolecularWeight: 350.47894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=S)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCNC(=S)N1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H26N4O2S/c1-2-3-4-5-10-18-17(24)20-13-11-19(12-14-20)15-6-8-16(9-7-15)21(22)23/h6-9H,2-5,10-14H2,1H3,(H,18,24)