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

Systemtic Name: N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-2-methyl-3-nitro-benzamide Openeye Name: N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]-2-methyl-3-nitro-benzamide CAS Name: N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-methyl-3-nitrobenzamide IUPAC Name: N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]-2-methyl-3-nitrobenzamide Traditional Name: N-[4-(2-chloro-6-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=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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