N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3,4,5-triethoxy-benzamide

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-3,4,5-triethoxy-benzamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3,4,5-triethoxy-benzamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-3,4,5-triethoxybenzamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]-3,4,5-triethoxybenzamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]-3,4,5-triethoxy-benzamide Formula: C24H29ClN4O6S MolecularWeight: 537.02826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C24H29ClN4O6S/c1-4-33-20-13-16(14-21(34-5-2)22(20)35-6-3)23(30)26-24(36)28-11-9-27(10-12-28)19-8-7-17(29(31)32)15-18(19)25/h7-8,13-15H,4-6,9-12H2,1-3H3,(H,26,30,36)