8-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-5-[[(2R)-pyrrolidin-2-yl]methylamino]-1H-quinolin-4-one

Systemtic Name: 8-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanyl]-5-[[(2R)-pyrrolidin-2-yl]methylamino]-1H-quinolin-4-one Openeye Name: 8-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-5-[[(2R)-pyrrolidin-2-yl]methylamino]-1H-quinolin-4-one CAS Name: 8-[(6-chloro-1H-benzimidazol-2-yl)thio]-5-[[(2R)-2-pyrrolidinyl]methylamino]-1H-quinolin-4-one IUPAC Name: 8-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-5-[[(2R)-pyrrolidin-2-yl]methylamino]-1H-quinolin-4-one Traditional Name: 8-[(6-chloro-1H-benzimidazol-2-yl)thio]-5-[[(2R)-pyrrolidin-2-yl]methylamino]-4-quinolone Formula: C21H20ClN5OS MolecularWeight: 425.9344

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)CNC2=C3C(=O)C=CNC3=C(C=C2)SC4=NC5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

C1C[C@@H](NC1)CNC2=C3C(=O)C=CNC3=C(C=C2)SC4=NC5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C21H20ClN5OS/c22-12-3-4-14-16(10-12)27-21(26-14)29-18-6-5-15(25-11-13-2-1-8-23-13)19-17(28)7-9-24-20(18)19/h3-7,9-10,13,23,25H,1-2,8,11H2,(H,24,28)(H,26,27)/t13-/m1/s1