N-(3-methoxypropyl)-2-[4-[(4-nitrophenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methoxypropyl)-2-[4-[(4-nitrophenyl)carbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3-methoxypropyl)-2-[4-[(4-nitrophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-methoxypropyl)-2-[4-[(4-nitroanilino)-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methoxypropyl)-2-[4-[(4-nitrophenyl)carbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3-methoxypropyl)-2-[4-[(4-nitrophenyl)thiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C17H26N5O4S+ MolecularWeight: 396.48444

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COCCCNC(=O)C[NH+]1CCN(CC1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H25N5O4S/c1-26-12-2-7-18-16(23)13-20-8-10-21(11-9-20)17(27)19-14-3-5-15(6-4-14)22(24)25/h3-6H,2,7-13H2,1H3,(H,18,23)(H,19,27)/p+1