N-[1-[3-(4-cyanophenyl)propanethioyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide

Systemtic Name: N-[1-[3-(4-cyanophenyl)propanethioyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide Openeye Name: N-[1-[3-(4-cyanophenyl)propanethioyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide CAS Name: N-[1-[3-(4-cyanophenyl)-1-sulfanylidenepropyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide IUPAC Name: N-[1-[3-(4-cyanophenyl)propanethioyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide Traditional Name: N-[1-[3-(4-cyanophenyl)propanethioyl]-3,4-dihydro-2H-quinolin-6-yl]benzenesulfonamide Formula: C25H23N3O2S2 MolecularWeight: 461.59902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)N(C1)C(=S)CCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC2=C(C=CC(=C2)NS(=O)(=O)C3=CC=CC=C3)N(C1)C(=S)CCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H23N3O2S2/c26-18-20-10-8-19(9-11-20)12-15-25(31)28-16-4-5-21-17-22(13-14-24(21)28)27-32(29,30)23-6-2-1-3-7-23/h1-3,6-11,13-14,17,27H,4-5,12,15-16H2