N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-methyl-butanamide

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-methyl-butanamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-methyl-butanamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-methylbutanamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-methyl-butyramide Formula: C16H21ClN4O3S MolecularWeight: 384.88094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4O3S/c1-11(2)9-15(22)18-16(25)20-7-5-19(6-8-20)14-4-3-12(21(23)24)10-13(14)17/h3-4,10-11H,5-9H2,1-2H3,(H,18,22,25)