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

Systemtic Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]piperidine-1-carbothioamide Openeye Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]piperidine-1-carbothioamide CAS Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]-1-piperidinecarbothioamide IUPAC Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]piperidine-1-carbothioamide Traditional Name: N-[4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)phenyl]piperidine-1-carbothioamide Formula: C21H25N3O2S2 MolecularWeight: 415.5721

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

C1CCN(CC1)C(=S)NC2=CC=C(C=C2)S(=O)(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H25N3O2S2/c25-28(26,24-15-12-17-6-2-3-7-18(17)16-24)20-10-8-19(9-11-20)22-21(27)23-13-4-1-5-14-23/h2-3,6-11H,1,4-5,12-16H2,(H,22,27)