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

Systemtic Name: N-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbothioylthiophene-2-carboxamide Openeye Name: N-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide CAS Name: N-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]-2-thiophenecarboxamide IUPAC Name: N-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbothioyl]thiophene-2-carboxamide Traditional Name: N-[4-(4-chloro-2-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)Cl)[N+](=O)[O-])C(=S)NC(=O)C3=CC=CS3

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O3S2/c17-11-3-4-12(13(10-11)21(23)24)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)