N-(2-chloranyl-5-nitro-phenyl)-4-(4-ethanoylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-(4-ethanoylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)-N-(2-chloro-5-nitro-phenyl)piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)-N-(2-chloro-5-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)-N-(2-chloro-5-nitrophenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)-N-(2-chloro-5-nitro-phenyl)piperazine-1-carbothioamide Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H19ClN4O3S/c1-13(25)14-2-4-15(5-3-14)22-8-10-23(11-9-22)19(28)21-18-12-16(24(26)27)6-7-17(18)20/h2-7,12H,8-11H2,1H3,(H,21,28)