N-(3-methoxypropyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide

Systemtic Name: N-(3-methoxypropyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-(3-methoxypropyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-(3-methoxypropyl)-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(3-methoxypropyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-(3-methoxypropyl)-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C15H22N4O3S MolecularWeight: 338.42518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O3S/c1-22-12-2-7-16-15(23)18-10-8-17(9-11-18)13-3-5-14(6-4-13)19(20)21/h3-6H,2,7-12H2,1H3,(H,16,23)