N-[4-chloranyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-(1-oxidanylidenethian-4-yl)-3,4-dihydro-1H-isoquinolin-5-amine

Systemtic Name: N-[4-chloranyl-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-(1-oxidanylidenethian-4-yl)-3,4-dihydro-1H-isoquinolin-5-amine Openeye Name: N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-(1-oxothian-4-yl)-3,4-dihydro-1H-isoquinolin-5-amine CAS Name: N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-(1-oxo-4-thianyl)-3,4-dihydro-1H-isoquinolin-5-amine IUPAC Name: N-[4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-2-(1-oxothian-4-yl)-3,4-dihydro-1H-isoquinolin-5-amine Traditional Name: [4-chloro-3-(5-phenyl-1H-imidazol-2-yl)phenyl]-[2-(1-ketothian-4-yl)-3,4-dihydro-1H-isoquinolin-5-yl]amine Formula: C29H29ClN4OS MolecularWeight: 517.08476

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)CCC1N2CCC3=C(C2)C=CC=C3NC4=CC(=C(C=C4)Cl)C5=NC=C(N5)C6=CC=CC=C6

Isomeric SMILES

C1CS(=O)CCC1N2CCC3=C(C2)C=CC=C3NC4=CC(=C(C=C4)Cl)C5=NC=C(N5)C6=CC=CC=C6

InChI

InChI=1S/C29H29ClN4OS/c30-26-10-9-22(17-25(26)29-31-18-28(33-29)20-5-2-1-3-6-20)32-27-8-4-7-21-19-34(14-11-24(21)27)23-12-15-36(35)16-13-23/h1-10,17-18,23,32H,11-16,19H2,(H,31,33)