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

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-2-methyl-3-nitro-benzamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-2-methyl-3-nitro-benzamide Formula: C19H18ClN5O5S MolecularWeight: 463.89472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN5O5S/c1-12-14(3-2-4-16(12)25(29)30)18(26)21-19(31)23-9-7-22(8-10-23)17-6-5-13(24(27)28)11-15(17)20/h2-6,11H,7-10H2,1H3,(H,21,26,31)