N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioylthiophene-2-carboxamide

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioylthiophene-2-carboxamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide Formula: C16H15ClN4O3S2 MolecularWeight: 410.8983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=S)NC(=O)C3=CC=CS3

InChI

InChI=1S/C16H15ClN4O3S2/c17-12-10-11(21(23)24)3-4-13(12)19-5-7-20(8-6-19)16(25)18-15(22)14-2-1-9-26-14/h1-4,9-10H,5-8H2,(H,18,22,25)