N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-2,2-dimethyl-propanamide

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-2,2-dimethyl-propanamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-2,2-dimethyl-propanamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2,2-dimethylpropanamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-2,2-dimethylpropanamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-2,2-dimethyl-propionamide Formula: C16H21ClN4O3S MolecularWeight: 384.88094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4O3S/c1-16(2,3)14(22)18-15(25)20-8-6-19(7-9-20)13-5-4-11(21(23)24)10-12(13)17/h4-5,10H,6-9H2,1-3H3,(H,18,22,25)