4-(azepan-1-ylcarbonyl)-N-(2-chloranyl-5-nitro-phenyl)piperidine-1-carbothioamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(2-chloranyl-5-nitro-phenyl)piperidine-1-carbothioamide Openeye Name: 4-(azepane-1-carbonyl)-N-(2-chloro-5-nitro-phenyl)piperidine-1-carbothioamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(2-chloro-5-nitrophenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(2-chloro-5-nitrophenyl)piperidine-1-carbothioamide Traditional Name: 4-(azepane-1-carbonyl)-N-(2-chloro-5-nitro-phenyl)piperidine-1-carbothioamide Formula: C19H25ClN4O3S MolecularWeight: 424.9448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CCN(CC2)C(=S)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H25ClN4O3S/c20-16-6-5-15(24(26)27)13-17(16)21-19(28)23-11-7-14(8-12-23)18(25)22-9-3-1-2-4-10-22/h5-6,13-14H,1-4,7-12H2,(H,21,28)