N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioyl-1-benzofuran-2-carboxamide Openeye Name: N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]benzofuran-2-carboxamide CAS Name: N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]-1-benzofuran-2-carboxamide Traditional Name: N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]coumarilamide Formula: C20H17ClN4O4S MolecularWeight: 444.89138

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=S)NC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=C2Cl)[N+](=O)[O-])C(=S)NC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C20H17ClN4O4S/c21-14-5-3-6-15(25(27)28)18(14)23-8-10-24(11-9-23)20(30)22-19(26)17-12-13-4-1-2-7-16(13)29-17/h1-7,12H,8-11H2,(H,22,26,30)