4-(phenylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carbothioamide

Systemtic Name: 4-(phenylmethyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carbothioamide Openeye Name: 4-benzyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carbothioamide CAS Name: 4-(phenylmethyl)-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-1-piperidinecarbothioamide IUPAC Name: 4-benzyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)piperidine-1-carbothioamide Traditional Name: 4-benzyl-N-(4-pyrrolidinosulfonylphenyl)piperidine-1-carbothioamide Formula: C23H29N3O2S2 MolecularWeight: 443.62526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C23H29N3O2S2/c27-30(28,26-14-4-5-15-26)22-10-8-21(9-11-22)24-23(29)25-16-12-20(13-17-25)18-19-6-2-1-3-7-19/h1-3,6-11,20H,4-5,12-18H2,(H,24,29)