3-chloranyl-N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-4-methyl-benzamide

Systemtic Name: 3-chloranyl-N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-4-methyl-benzamide Openeye Name: 3-chloro-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-4-methyl-benzamide CAS Name: 3-chloro-N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-methylbenzamide IUPAC Name: 3-chloro-N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]-4-methylbenzamide Traditional Name: 3-chloro-N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-4-methyl-benzamide Formula: C19H18Cl2N4O3S MolecularWeight: 453.34222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=CC=C3Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H18Cl2N4O3S/c1-12-5-6-13(11-15(12)21)18(26)22-19(29)24-9-7-23(8-10-24)17-14(20)3-2-4-16(17)25(27)28/h2-6,11H,7-10H2,1H3,(H,22,26,29)