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

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3-methyl-benzamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-methyl-benzamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3-methylbenzamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3-methylbenzamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3-methyl-benzamide Formula: C19H19ClN4O3S MolecularWeight: 418.89716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

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