N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioylethanamide

Systemtic Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazin-1-yl]carbothioylethanamide Openeye Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]acetamide CAS Name: N-[[4-(4-methoxy-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]acetamide IUPAC Name: N-[4-(4-methoxy-2-nitrophenyl)piperazine-1-carbothioyl]acetamide Traditional Name: N-[4-(4-methoxy-2-nitro-phenyl)piperazine-1-carbothioyl]acetamide Formula: C14H18N4O4S MolecularWeight: 338.38212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O4S/c1-10(19)15-14(23)17-7-5-16(6-8-17)12-4-3-11(22-2)9-13(12)18(20)21/h3-4,9H,5-8H2,1-2H3,(H,15,19,23)