N-(4-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-quinoline-1-carbothioamide

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-quinoline-1-carbothioamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-quinoline-1-carbothioamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-3,4-dihydro-2H-quinoline-1-carbothioamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-3,4-dihydro-2H-quinoline-1-carbothioamide Traditional Name: N-(4-pyrrolidinosulfonylphenyl)-3,4-dihydro-2H-quinoline-1-carbothioamide Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCCC4=CC=CC=C43

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCCC4=CC=CC=C43

InChI

InChI=1S/C20H23N3O2S2/c24-27(25,22-13-3-4-14-22)18-11-9-17(10-12-18)21-20(26)23-15-5-7-16-6-1-2-8-19(16)23/h1-2,6,8-12H,3-5,7,13-15H2,(H,21,26)