N-(3,4-dihydro-2H-thiochromen-4-yl)-2-propan-2-yl-quinoline-4-carboxamide

Systemtic Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-2-propan-2-yl-quinoline-4-carboxamide Openeye Name: 2-isopropyl-N-thiochroman-4-yl-quinoline-4-carboxamide CAS Name: N-(3,4-dihydro-2H-1-benzothiopyran-4-yl)-2-propan-2-yl-4-quinolinecarboxamide IUPAC Name: N-(3,4-dihydro-2H-thiochromen-4-yl)-2-propan-2-ylquinoline-4-carboxamide Traditional Name: 2-isopropyl-N-thiochroman-4-yl-cinchoninamide Formula: C22H22N2OS MolecularWeight: 362.48788

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3CCSC4=CC=CC=C34

Isomeric SMILES

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)NC3CCSC4=CC=CC=C34

InChI

InChI=1S/C22H22N2OS/c1-14(2)20-13-17(15-7-3-5-9-18(15)23-20)22(25)24-19-11-12-26-21-10-6-4-8-16(19)21/h3-10,13-14,19H,11-12H2,1-2H3,(H,24,25)