N-(2-chloranyl-5-nitro-phenyl)-4-(5-methanoylthiophen-2-yl)piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-(5-methanoylthiophen-2-yl)piperazine-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-(5-formyl-2-thienyl)piperazine-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-(5-formyl-2-thiophenyl)-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-(5-formylthiophen-2-yl)piperazine-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-(5-formyl-2-thienyl)piperazine-1-carbothioamide Formula: C16H15ClN4O3S2 MolecularWeight: 410.8983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(S2)C=O)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CN(CCN1C2=CC=C(S2)C=O)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

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