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

Systemtic Name: N-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbothioyl-4-ethoxy-benzamide Openeye Name: N-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioyl]-4-ethoxy-benzamide CAS Name: N-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-4-ethoxybenzamide IUPAC Name: N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]-4-ethoxybenzamide Traditional Name: N-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioyl]-4-ethoxy-benzamide Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)NC(=S)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O4S/c1-2-29-16-6-3-14(4-7-16)19(26)22-20(30)24-11-9-23(10-12-24)17-8-5-15(21)13-18(17)25(27)28/h3-8,13H,2,9-12H2,1H3,(H,22,26,30)