4-(azepan-1-ylcarbonyl)-N-(4-nitrophenyl)piperidine-1-carbothioamide

Systemtic Name: 4-(azepan-1-ylcarbonyl)-N-(4-nitrophenyl)piperidine-1-carbothioamide Openeye Name: 4-(azepane-1-carbonyl)-N-(4-nitrophenyl)piperidine-1-carbothioamide CAS Name: 4-[1-azepanyl(oxo)methyl]-N-(4-nitrophenyl)-1-piperidinecarbothioamide IUPAC Name: 4-(azepane-1-carbonyl)-N-(4-nitrophenyl)piperidine-1-carbothioamide Traditional Name: 4-(azepane-1-carbonyl)-N-(4-nitrophenyl)piperidine-1-carbothioamide Formula: C19H26N4O3S MolecularWeight: 390.49974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O3S/c24-18(21-11-3-1-2-4-12-21)15-9-13-22(14-10-15)19(27)20-16-5-7-17(8-6-16)23(25)26/h5-8,15H,1-4,9-14H2,(H,20,27)