3-chloranyl-4-ethoxy-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide

Systemtic Name: 3-chloranyl-4-ethoxy-N-[4-(4-nitrophenyl)piperazin-1-yl]carbothioyl-benzamide Openeye Name: 3-chloro-4-ethoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide CAS Name: 3-chloro-4-ethoxy-N-[[4-(4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]benzamide IUPAC Name: 3-chloro-4-ethoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Traditional Name: 3-chloro-4-ethoxy-N-[4-(4-nitrophenyl)piperazine-1-carbothioyl]benzamide Formula: C20H21ClN4O4S MolecularWeight: 448.92314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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