1-(4-nitrophenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carbothioamide

Systemtic Name: 1-(4-nitrophenyl)sulfonyl-N-(phenylmethyl)piperidine-4-carbothioamide Openeye Name: N-benzyl-1-(4-nitrophenyl)sulfonyl-piperidine-4-carbothioamide CAS Name: 1-(4-nitrophenyl)sulfonyl-N-(phenylmethyl)-4-piperidinecarbothioamide IUPAC Name: N-benzyl-1-(4-nitrophenyl)sulfonylpiperidine-4-carbothioamide Traditional Name: N-benzyl-1-nosyl-thioisonipecotamide Formula: C19H21N3O4S2 MolecularWeight: 419.51774

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCC1C(=S)NCC2=CC=CC=C2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S2/c23-22(24)17-6-8-18(9-7-17)28(25,26)21-12-10-16(11-13-21)19(27)20-14-15-4-2-1-3-5-15/h1-9,16H,10-14H2,(H,20,27)