3-methyl-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-butanamide

Systemtic Name: 3-methyl-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-butanamide Openeye Name: 3-methyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]butanamide CAS Name: 3-methyl-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]butanamide IUPAC Name: 3-methyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]butanamide Traditional Name: 3-methyl-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]butyramide Formula: C16H22N4O3S MolecularWeight: 350.43588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O3S/c1-12(2)11-15(21)17-16(24)19-9-7-18(8-10-19)13-3-5-14(6-4-13)20(22)23/h3-6,12H,7-11H2,1-2H3,(H,17,21,24)