N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]pyrrolidine-1-carbothioamide

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]pyrrolidine-1-carbothioamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]pyrrolidine-1-carbothioamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1-pyrrolidinecarbothioamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]pyrrolidine-1-carbothioamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]pyrrolidine-1-carbothioamide Formula: C20H23N3O2S2 MolecularWeight: 401.54552

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(C1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

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